3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide

C18H21IN2O3S — CID 26890848

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(I)c2)cc1C
InChIInChI=1S/C18H21IN2O3S/c1-12-5-7-16(10-14(12)3)25(23,24)20-9-8-18(22)21-15-6-4-13(2)17(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyCVSJAOIAYZMBAV-UHFFFAOYSA-N
MW472.35 g/mol
LogP3.52
Rot. Bonds6

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide (PubChem CID 26890848) has the molecular formula C18H21IN2O3S and a molecular weight of 472.35 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
PubChem CID26890848
Molecular FormulaC18H21IN2O3S
Molecular Weight472.35 g/mol
Exact Mass472.03
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(I)c2)cc1C
InChIInChI=1S/C18H21IN2O3S/c1-12-5-7-16(10-14(12)3)25(23,24)20-9-8-18(22)21-15-6-4-13(2)17(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyCVSJAOIAYZMBAV-UHFFFAOYSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
N-[3-chloro-4-(dimethylamino)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55822561
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide
CID 130498316
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide (CID 26890848) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(I)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide?
The InChIKey is CVSJAOIAYZMBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O3S/c1-12-5-7-16(10-14(12)3)25(23,24)20-9-8-18(22)21-15-6-4-13(2)17(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide has a molecular weight of 472.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide is sourced from PubChem (CID 26890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).