4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide

C19H22N4O2S — CID 129237209

IUPAC4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(NC(=O)c3cc(N)cn3C)ccc2s1
InChIInChI=1S/C19H22N4O2S/c1-4-23(5-2)19(25)17-9-12-8-14(6-7-16(12)26-17)21-18(24)15-10-13(20)11-22(15)3/h6-11H,4-5,20H2,1-3H3,(H,21,24)
InChIKeyMTSWJGKTFKQRJG-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.56
Rot. Bonds5

About 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide

4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 129237209) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
PubChem CID129237209
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(NC(=O)c3cc(N)cn3C)ccc2s1
InChIInChI=1S/C19H22N4O2S/c1-4-23(5-2)19(25)17-9-12-8-14(6-7-16(12)26-17)21-18(24)15-10-13(20)11-22(15)3/h6-11H,4-5,20H2,1-3H3,(H,21,24)
InChIKeyMTSWJGKTFKQRJG-UHFFFAOYSA-N
XLogP3.56
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-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

methyl 3-[[5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-benzothiophene-2-carbonyl]amino]propanoate
CID 142617303
N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide
CID 129236873
tert-butyl N-[5-[[2-(3-hydroxypropylcarbamoyl)-1-benzothiophen-5-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamate
CID 156577875
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
5-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]-1-benzothiophene-2-carboxylic acid
CID 142617368
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
methyl 6-[[(2S)-1-[[(2S)-1-[[5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-benzothiophen-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 155429457
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide (CID 129237209) is 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide is CCN(CC)C(=O)c1cc2cc(NC(=O)c3cc(N)cn3C)ccc2s1.
What is the InChIKey of 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MTSWJGKTFKQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-4-23(5-2)19(25)17-9-12-8-14(6-7-16(12)26-17)21-18(24)15-10-13(20)11-22(15)3/h6-11H,4-5,20H2,1-3H3,(H,21,24).
What are the key properties of 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylcarbamoyl)-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129237209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).