N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide

C21H22N2O2S — CID 97340977

IUPACN-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1
InChIInChI=1S/C21H22N2O2S/c24-20(17-10-12-26-15-17)14-22(13-16-5-2-1-3-6-16)21(25)19-7-4-11-23(19)18-8-9-18/h1-7,10-12,15,18,20,24H,8-9,13-14H2/t20-/m1/s1
InChIKeyZZXVBJWWMWXDFK-HXUWFJFHSA-N
MW366.49 g/mol
LogP4.26
Rot. Bonds7

About N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide

N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide (PubChem CID 97340977) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
PubChem CID97340977
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1
InChIInChI=1S/C21H22N2O2S/c24-20(17-10-12-26-15-17)14-22(13-16-5-2-1-3-6-16)21(25)19-7-4-11-23(19)18-8-9-18/h1-7,10-12,15,18,20,24H,8-9,13-14H2/t20-/m1/s1
InChIKeyZZXVBJWWMWXDFK-HXUWFJFHSA-N
XLogP4.26
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]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

N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 71854734
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
CID 119821292
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
CID 119821290
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 131932038
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide (CID 97340977) is N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide is O=C(c1cccn1C1CC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1.
What is the InChIKey of N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide?
The InChIKey is ZZXVBJWWMWXDFK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(17-10-12-26-15-17)14-22(13-16-5-2-1-3-6-16)21(25)19-7-4-11-23(19)18-8-9-18/h1-7,10-12,15,18,20,24H,8-9,13-14H2/t20-/m1/s1.
What are the key properties of N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide?
N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 97340977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).