N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide

C21H27N3O3S — CID 46797719

IUPACN-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-17-11-12-19(28(26,27)24-13-7-4-8-14-24)15-20(17)22-16-21(25)23(2)18-9-5-3-6-10-18/h3,5-6,9-12,15,22H,4,7-8,13-14,16H2,1-2H3
InChIKeyIPWMSNKBGULPLD-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.24
Rot. Bonds6

About N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide

N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide (PubChem CID 46797719) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide
PubChem CID46797719
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N(C)c1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-17-11-12-19(28(26,27)24-13-7-4-8-14-24)15-20(17)22-16-21(25)23(2)18-9-5-3-6-10-18/h3,5-6,9-12,15,22H,4,7-8,13-14,16H2,1-2H3
InChIKeyIPWMSNKBGULPLD-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55345434
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26012066
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
1-benzyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 3991323
2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 55551276
2-methyl-3-[methyl-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]amino]propanoic acid
CID 122073897
[2-(N-methylanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2478788

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide (CID 46797719) is N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide?
The InChIKey is IPWMSNKBGULPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-11-12-19(28(26,27)24-13-7-4-8-14-24)15-20(17)22-16-21(25)23(2)18-9-5-3-6-10-18/h3,5-6,9-12,15,22H,4,7-8,13-14,16H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide?
N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide has a molecular weight of 401.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 46797719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).