N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C20H31N3O3S — CID 87028777

IUPACN-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C20H31N3O3S/c1-21-15-18(27(25,26)22-11-5-6-12-22)13-19(21)20(24)23(17-9-10-17)14-16-7-3-2-4-8-16/h13,15-17H,2-12,14H2,1H3
InChIKeyQUOLTOQIXZSGLX-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.99
Rot. Bonds6

About N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 87028777) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID87028777
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C20H31N3O3S/c1-21-15-18(27(25,26)22-11-5-6-12-22)13-19(21)20(24)23(17-9-10-17)14-16-7-3-2-4-8-16/h13,15-17H,2-12,14H2,1H3
InChIKeyQUOLTOQIXZSGLX-UHFFFAOYSA-N
XLogP2.99
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
N-butyl-N-(1,1-dioxothiolan-3-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55508029
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119653220
N-(cyclohexylmethyl)-N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60535288
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65387791
N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 6625756

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 87028777) is N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QUOLTOQIXZSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-21-15-18(27(25,26)22-11-5-6-12-22)13-19(21)20(24)23(17-9-10-17)14-16-7-3-2-4-8-16/h13,15-17H,2-12,14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 87028777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).