N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide

C20H30N4O4S — CID 9052709

IUPACN-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O4S/c1-15-6-7-17(12-18(15)29(27,28)24-10-4-3-5-11-24)22-20(26)14-23(2)13-19(25)21-16-8-9-16/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCZKWLMXYAPJEIO-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.32
Rot. Bonds8

About N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9052709) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
PubChem CID9052709
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O4S/c1-15-6-7-17(12-18(15)29(27,28)24-10-4-3-5-11-24)22-20(26)14-23(2)13-19(25)21-16-8-9-16/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCZKWLMXYAPJEIO-UHFFFAOYSA-N
XLogP1.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide
CID 78822346
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-(2,3-dihydroindol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8704410
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
N-cyclopropyl-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8910156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide (CID 9052709) is N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)NC2CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is CZKWLMXYAPJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-15-6-7-17(12-18(15)29(27,28)24-10-4-3-5-11-24)22-20(26)14-23(2)13-19(25)21-16-8-9-16/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 422.55 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9052709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).