2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C19H25N3O3S — CID 95679320

IUPAC2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccncc2)cc1C
InChIInChI=1S/C19H25N3O3S/c1-14-6-7-18(12-15(14)2)26(24,25)21(4)13-19(23)22(5)16(3)17-8-10-20-11-9-17/h6-12,16H,13H2,1-5H3/t16-/m0/s1
InChIKeyQQKHZGZNOMFAML-INIZCTEOSA-N
MW375.49 g/mol
LogP2.54
Rot. Bonds6

About 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 95679320) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID95679320
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccncc2)cc1C
InChIInChI=1S/C19H25N3O3S/c1-14-6-7-18(12-15(14)2)26(24,25)21(4)13-19(23)22(5)16(3)17-8-10-20-11-9-17/h6-12,16H,13H2,1-5H3/t16-/m0/s1
InChIKeyQQKHZGZNOMFAML-INIZCTEOSA-N
XLogP2.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide
CID 60571189
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571081
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 55537250
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32919524
N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
CID 25343534
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 95679320) is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccncc2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is QQKHZGZNOMFAML-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-6-7-18(12-15(14)2)26(24,25)21(4)13-19(23)22(5)16(3)17-8-10-20-11-9-17/h6-12,16H,13H2,1-5H3/t16-/m0/s1.
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 95679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).