N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

C16H22N2O2S — CID 26319257

IUPACN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1
InChIInChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1
InChIKeyAYDWCZNITOSPIZ-AWEZNQCLSA-N
MW306.43 g/mol
LogP2.66
Rot. Bonds4

About N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 26319257) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID26319257
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1
InChIInChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1
InChIKeyAYDWCZNITOSPIZ-AWEZNQCLSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-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

Rel-(9AR,13AS)-1-(3-thienylcarbonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
CID 110202322
(4R)-N-ethyl-1-[3-(methylthio)propyl]-4-[(3-thienylcarbonyl)amino]-L-prolinamide
CID 72854203
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(thiophene-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97460088
[(2S,3aR,7aS)-1-methyl-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97460106
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493601
2-Methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-Ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738841
2-(Cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118739680
5-(Thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201368
1-Cyclohexyl-3-(2-(4-(thiophene-3-carbonyl)piperazin-1-yl)ethyl)urea
CID 49676912
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 56826628
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 71789233

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (CID 26319257) is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is AYDWCZNITOSPIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 26319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).