N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C20H30N2O4S — CID 18156104

IUPACN-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C20H30N2O4S/c1-3-22(17-9-5-4-6-10-17)20(23)16-11-12-18(26-2)19(15-16)27(24,25)21-13-7-8-14-21/h11-12,15,17H,3-10,13-14H2,1-2H3
InChIKeyFDVYNCFGFSRZNJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.27
Rot. Bonds6

About N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18156104) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18156104
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C20H30N2O4S/c1-3-22(17-9-5-4-6-10-17)20(23)16-11-12-18(26-2)19(15-16)27(24,25)21-13-7-8-14-21/h11-12,15,17H,3-10,13-14H2,1-2H3
InChIKeyFDVYNCFGFSRZNJ-UHFFFAOYSA-N
XLogP3.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide 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-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509351
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
[2-(diethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509189
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55334509
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
3-(azepan-1-ylsulfonyl)-N-(4-ethylcyclohexyl)-4-methoxybenzamide
CID 112816421

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 18156104) is N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is FDVYNCFGFSRZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-3-22(17-9-5-4-6-10-17)20(23)16-11-12-18(26-2)19(15-16)27(24,25)21-13-7-8-14-21/h11-12,15,17H,3-10,13-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18156104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).