2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H33N3O4S — CID 1057743

IUPAC2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CCCCC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-25-16-6-9-21(25)17-26(19-10-11-19)24(28)18-27(20-7-4-3-5-8-20)32(29,30)23-14-12-22(31-2)13-15-23/h6,9,12-16,19-20H,3-5,7-8,10-11,17-18H2,1-2H3
InChIKeySERNIWCUGJLOJS-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.55
Rot. Bonds9

About 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 1057743) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID1057743
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CCCCC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-25-16-6-9-21(25)17-26(19-10-11-19)24(28)18-27(20-7-4-3-5-8-20)32(29,30)23-14-12-22(31-2)13-15-23/h6,9,12-16,19-20H,3-5,7-8,10-11,17-18H2,1-2H3
InChIKeySERNIWCUGJLOJS-UHFFFAOYSA-N
XLogP3.55
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057219
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948115
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 1199064
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3956748
2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3940847
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057750
N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3963579
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100791045
2-[cyclohexyl(naphthalen-1-ylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3919486

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 1057743) is 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SERNIWCUGJLOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-25-16-6-9-21(25)17-26(19-10-11-19)24(28)18-27(20-7-4-3-5-8-20)32(29,30)23-14-12-22(31-2)13-15-23/h6,9,12-16,19-20H,3-5,7-8,10-11,17-18H2,1-2H3.
What are the key properties of 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 459.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 1057743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).