N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C20H29N5O3S — CID 86883243

IUPACN-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccc(NCC(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H29N5O3S/c1-16-7-8-18(11-19(16)29(27,28)25-9-5-4-6-10-25)21-13-20(26)23(2)14-17-12-22-24(3)15-17/h7-8,11-12,15,21H,4-6,9-10,13-14H2,1-3H3
InChIKeyJCGBQNOXHMAOPJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 86883243) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID86883243
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccc(NCC(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H29N5O3S/c1-16-7-8-18(11-19(16)29(27,28)25-9-5-4-6-10-25)21-13-20(26)23(2)14-17-12-22-24(3)15-17/h7-8,11-12,15,21H,4-6,9-10,13-14H2,1-3H3
InChIKeyJCGBQNOXHMAOPJ-UHFFFAOYSA-N
XLogP1.97
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
2-chloro-N-cyclohexyl-N-methyl-4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]benzamide
CID 86883249
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99956878
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 86883243) is N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cc1ccc(NCC(=O)N(C)Cc2cnn(C)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is JCGBQNOXHMAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-16-7-8-18(11-19(16)29(27,28)25-9-5-4-6-10-25)21-13-20(26)23(2)14-17-12-22-24(3)15-17/h7-8,11-12,15,21H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86883243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).