2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C21H33N3O3S — CID 18078412

IUPAC2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-17-11-12-18(15-20(17)28(26,27)24-13-7-4-8-14-24)22-21(25)16-23(2)19-9-5-3-6-10-19/h11-12,15,19H,3-10,13-14,16H2,1-2H3,(H,22,25)
InChIKeyWTLFZUUUEXZMOS-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.37
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 18078412) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID18078412
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-17-11-12-18(15-20(17)28(26,27)24-13-7-4-8-14-24)22-21(25)16-23(2)19-9-5-3-6-10-19/h11-12,15,19H,3-10,13-14,16H2,1-2H3,(H,22,25)
InChIKeyWTLFZUUUEXZMOS-UHFFFAOYSA-N
XLogP3.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
CID 9052709
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
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
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932696
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 18078412) is 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WTLFZUUUEXZMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-17-11-12-18(15-20(17)28(26,27)24-13-7-4-8-14-24)22-21(25)16-23(2)19-9-5-3-6-10-19/h11-12,15,19H,3-10,13-14,16H2,1-2H3,(H,22,25).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 407.58 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 18078412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).