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

C28H30ClN7O5S2 — CID 10282984

IUPAC4-[[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
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cs3)cn2C)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C28H30ClN7O5S2/c1-34-14-17(11-21(34)25(37)30-4-5-36-6-8-41-9-7-36)31-26(38)22-12-18(15-35(22)2)32-27(39)23-13-19(16-43-23)33-28(40)24-20(29)3-10-42-24/h3,10-16H,4-9H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)
InChIKeyHHQWVFIVJLRYHQ-UHFFFAOYSA-N
MW644.18 g/mol
LogP3.96
Rot. Bonds10

About 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

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 (PubChem CID 10282984) has the molecular formula C28H30ClN7O5S2 and a molecular weight of 644.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID10282984
Molecular FormulaC28H30ClN7O5S2
Molecular Weight644.18 g/mol
Exact Mass643.14
IUPAC Name4-[[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
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cs3)cn2C)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C28H30ClN7O5S2/c1-34-14-17(11-21(34)25(37)30-4-5-36-6-8-41-9-7-36)31-26(38)22-12-18(15-35(22)2)32-27(39)23-13-19(16-43-23)33-28(40)24-20(29)3-10-42-24/h3,10-16H,4-9H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)
InChIKeyHHQWVFIVJLRYHQ-UHFFFAOYSA-N
XLogP3.96
TPSA138.73 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.18
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
4-(furan-3-carbonylamino)-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 11146356
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
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
4-formamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047136
S-methyl N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamothioate
CID 123406692
4-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-4-oxobutanoic acid
CID 155539751
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]imidazo[1,2-a]pyridine-2-carboxamide
CID 11006761
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cs3)cn2C)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is HHQWVFIVJLRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN7O5S2/c1-34-14-17(11-21(34)25(37)30-4-5-36-6-8-41-9-7-36)31-26(38)22-12-18(15-35(22)2)32-27(39)23-13-19(16-43-23)33-28(40)24-20(29)3-10-42-24/h3,10-16H,4-9H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40).
What are the key properties of 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?
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 has a molecular weight of 644.18 g/mol, XLogP of 3.96, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10282984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).