4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide

C19H21Cl2N3O4S2 — CID 24647982

IUPAC4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O4S2/c1-22-18(25)12-3-6-14(7-4-12)23-19(26)16(9-10-29-2)24-30(27,28)17-11-13(20)5-8-15(17)21/h3-8,11,16,24H,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTXBQGKOTXSPCD-UHFFFAOYSA-N
MW490.43 g/mol
LogP3.39
Rot. Bonds9

About 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide

4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide (PubChem CID 24647982) has the molecular formula C19H21Cl2N3O4S2 and a molecular weight of 490.43 g/mol. Its IUPAC name is 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
PubChem CID24647982
Molecular FormulaC19H21Cl2N3O4S2
Molecular Weight490.43 g/mol
Exact Mass489.04
IUPAC Name4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O4S2/c1-22-18(25)12-3-6-14(7-4-12)23-19(26)16(9-10-29-2)24-30(27,28)17-11-13(20)5-8-15(17)21/h3-8,11,16,24H,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOTXBQGKOTXSPCD-UHFFFAOYSA-N
XLogP3.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide with MolForge

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 112803692
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55866835
3-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid
CID 19032733
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
2,5-dichloro-N-[1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55585011
2-chloro-N-methyl-5-[[(2S)-4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]benzamide
CID 52510426
N-(4-tert-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46651070

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide (CID 24647982) is 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide?
The InChIKey is OTXBQGKOTXSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S2/c1-22-18(25)12-3-6-14(7-4-12)23-19(26)16(9-10-29-2)24-30(27,28)17-11-13(20)5-8-15(17)21/h3-8,11,16,24H,9-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide?
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide has a molecular weight of 490.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24647982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).