N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

C18H26N2O4S — CID 118770787

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3CNC[C@H]3O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-25(23,24)14-7-5-13(6-8-14)18(9-3-2-4-10-18)17(22)20-15-11-19-12-16(15)21/h5-8,15-16,19,21H,2-4,9-12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyIELDDMJDKFAAIA-HZPDHXFCSA-N
MW366.48 g/mol
LogP0.74
Rot. Bonds4

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (PubChem CID 118770787) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
PubChem CID118770787
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3CNC[C@H]3O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-25(23,24)14-7-5-13(6-8-14)18(9-3-2-4-10-18)17(22)20-15-11-19-12-16(15)21/h5-8,15-16,19,21H,2-4,9-12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyIELDDMJDKFAAIA-HZPDHXFCSA-N
XLogP0.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-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-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 154908138
1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclohexyl]methanone
CID 155505570
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide (CID 118770787) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is CS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3CNC[C@H]3O)CCCCC2)cc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
The InChIKey is IELDDMJDKFAAIA-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-25(23,24)14-7-5-13(6-8-14)18(9-3-2-4-10-18)17(22)20-15-11-19-12-16(15)21/h5-8,15-16,19,21H,2-4,9-12H2,1H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118770787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).