4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide

C33H35ClN8O4S — CID 10233547

IUPAC4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4Cl)c[nH]3)cn2C)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C33H35ClN8O4S/c1-40-19-22(15-25(40)31(44)35-10-13-42-11-6-3-7-12-42)39-32(45)26-16-21(18-41(26)2)38-30(43)24-14-20(17-36-24)37-33(46)29-28(34)23-8-4-5-9-27(23)47-29/h4-5,8-9,14-19,36H,3,6-7,10-13H2,1-2H3,(H,35,44)(H,37,46)(H,38,43)(H,39,45)
InChIKeyIDAYXTSVQJAQIS-UHFFFAOYSA-N
MW675.22 g/mol
LogP5.53
Rot. Bonds10

About 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide

4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide (PubChem CID 10233547) has the molecular formula C33H35ClN8O4S and a molecular weight of 675.22 g/mol. Its IUPAC name is 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
PubChem CID10233547
Molecular FormulaC33H35ClN8O4S
Molecular Weight675.22 g/mol
Exact Mass674.22
IUPAC Name4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4Cl)c[nH]3)cn2C)cc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C33H35ClN8O4S/c1-40-19-22(15-25(40)31(44)35-10-13-42-11-6-3-7-12-42)39-32(45)26-16-21(18-41(26)2)38-30(43)24-14-20(17-36-24)37-33(46)29-28(34)23-8-4-5-9-27(23)47-29/h4-5,8-9,14-19,36H,3,6-7,10-13H2,1-2H3,(H,35,44)(H,37,46)(H,38,43)(H,39,45)
InChIKeyIDAYXTSVQJAQIS-UHFFFAOYSA-N
XLogP5.53
TPSA145.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.22
LogP ≤ 55.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 10908617
4-[[4-[4-[[5-[2-(azepan-1-yl)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-[3-(azepan-1-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 44626463
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 46410670
4-[(5-chlorothiophene-2-carbonyl)amino]-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 10941267
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 10984873
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1H-indole-2-carboxamide
CID 10952359
1-methyl-4-[[4-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 44627929
5-[[4-[[4-[(4-chloro-2-fluorobenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carboxamide
CID 59682180
4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]thiophene-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 10282984
3-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-1-benzothiophene-2-carboxamide
CID 35397504
3-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 3316135
4,5-dichloro-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-thiazole-3-carboxamide
CID 11072450

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide (CID 10233547) is 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide is Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sc5ccccc5c4Cl)c[nH]3)cn2C)cc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
The InChIKey is IDAYXTSVQJAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN8O4S/c1-40-19-22(15-25(40)31(44)35-10-13-42-11-6-3-7-12-42)39-32(45)26-16-21(18-41(26)2)38-30(43)24-14-20(17-36-24)37-33(46)29-28(34)23-8-4-5-9-27(23)47-29/h4-5,8-9,14-19,36H,3,6-7,10-13H2,1-2H3,(H,35,44)(H,37,46)(H,38,43)(H,39,45).
What are the key properties of 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide?
4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide has a molecular weight of 675.22 g/mol, XLogP of 5.53, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-N-[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 10233547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).