2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H35N3O3S — CID 3940847

IUPAC2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H35N3O3S/c1-6-15-26(31(29,30)22-13-9-19(10-14-22)24(2,3)4)18-23(28)27(20-11-12-20)17-21-8-7-16-25(21)5/h7-10,13-14,16,20H,6,11-12,15,17-18H2,1-5H3
InChIKeyLHCWLXUOEMOBKS-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.91
Rot. Bonds9

About 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3940847) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3940847
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H35N3O3S/c1-6-15-26(31(29,30)22-13-9-19(10-14-22)24(2,3)4)18-23(28)27(20-11-12-20)17-21-8-7-16-25(21)5/h7-10,13-14,16,20H,6,11-12,15,17-18H2,1-5H3
InChIKeyLHCWLXUOEMOBKS-UHFFFAOYSA-N
XLogP3.91
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3948115
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3956748
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 4675917
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 4044022
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3969066
2-[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057750
N-cyclopropyl-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5032587
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057743

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3940847) is 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1cccn1C)C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is LHCWLXUOEMOBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-6-15-26(31(29,30)22-13-9-19(10-14-22)24(2,3)4)18-23(28)27(20-11-12-20)17-21-8-7-16-25(21)5/h7-10,13-14,16,20H,6,11-12,15,17-18H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 445.63 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3940847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).