N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide

C23H30N2O3S — CID 9479145

IUPACN-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-17(2)20-8-6-19(7-9-20)16-25(21-10-11-21)23(26)14-15-24-29(27,28)22-12-4-18(3)5-13-22/h4-9,12-13,17,21,24H,10-11,14-16H2,1-3H3
InChIKeyFZVXLQSKQLLCIH-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.98
Rot. Bonds9

About N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide

N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 9479145) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID9479145
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-17(2)20-8-6-19(7-9-20)16-25(21-10-11-21)23(26)14-15-24-29(27,28)22-12-4-18(3)5-13-22/h4-9,12-13,17,21,24H,10-11,14-16H2,1-3H3
InChIKeyFZVXLQSKQLLCIH-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26426569
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699
3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 55592271
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 38253005
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 31784566
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 9479145) is N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is FZVXLQSKQLLCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17(2)20-8-6-19(7-9-20)16-25(21-10-11-21)23(26)14-15-24-29(27,28)22-12-4-18(3)5-13-22/h4-9,12-13,17,21,24H,10-11,14-16H2,1-3H3.
What are the key properties of N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 414.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 9479145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).