2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide

C18H20N4O3S — CID 60571189

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(c1ccncc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O3S/c1-14(16-8-10-20-11-9-16)22(3)18(23)13-21(2)26(24,25)17-6-4-15(12-19)5-7-17/h4-11,14H,13H2,1-3H3
InChIKeyCCBRRFXBOMUSSO-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.79
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 60571189) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID60571189
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(c1ccncc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O3S/c1-14(16-8-10-20-11-9-16)22(3)18(23)13-21(2)26(24,25)17-6-4-15(12-19)5-7-17/h4-11,14H,13H2,1-3H3
InChIKeyCCBRRFXBOMUSSO-UHFFFAOYSA-N
XLogP1.79
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 95679320
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 55621554
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594335
N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide (CID 60571189) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide is CC(c1ccncc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is CCBRRFXBOMUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-14(16-8-10-20-11-9-16)22(3)18(23)13-21(2)26(24,25)17-6-4-15(12-19)5-7-17/h4-11,14H,13H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 60571189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).