1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide

C15H22N2O3S — CID 71909494

IUPAC1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C)(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H22N2O3S/c1-5-14(11-16)21(18,19)17-15(2,3)10-12-7-6-8-13(9-12)20-4/h6-9,14,17H,5,10H2,1-4H3
InChIKeyNEVVRSBULYNSAR-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.24
Rot. Bonds7

About 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide

1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide (PubChem CID 71909494) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide
PubChem CID71909494
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C)(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H22N2O3S/c1-5-14(11-16)21(18,19)17-15(2,3)10-12-7-6-8-13(9-12)20-4/h6-9,14,17H,5,10H2,1-4H3
InChIKeyNEVVRSBULYNSAR-UHFFFAOYSA-N
XLogP2.24
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65378065
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
CID 121002353
1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide
CID 102696024
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
CID 94691468
1-(3-methoxyphenyl)-2-propan-2-yloxypropan-2-ol
CID 91379820
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
3-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234271

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide (CID 71909494) is 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC(C)(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide?
The InChIKey is NEVVRSBULYNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-14(11-16)21(18,19)17-15(2,3)10-12-7-6-8-13(9-12)20-4/h6-9,14,17H,5,10H2,1-4H3.
What are the key properties of 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide?
1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 71909494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).