N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C14H23N3O3S — CID 120831447

IUPACN-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCNC(C)CNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-8-14(18)16-10-12(2)15-3/h4-7,12,15,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyGVMMDXVPVRRKFW-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.39
Rot. Bonds8

About N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 120831447) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID120831447
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCNC(C)CNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-8-14(18)16-10-12(2)15-3/h4-7,12,15,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyGVMMDXVPVRRKFW-UHFFFAOYSA-N
XLogP0.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(methylamino)propyl]propanamide
CID 120827257
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
CID 9205175
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 120831447) is N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is CNC(C)CNC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is GVMMDXVPVRRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-8-14(18)16-10-12(2)15-3/h4-7,12,15,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 120831447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).