4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C20H25ClN4O5S — CID 55898309

IUPAC4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN4O5S/c1-24(2)20(27)15-8-6-13(21)10-16(15)22-12-19(26)23-14-7-9-17(30-5)18(11-14)31(28,29)25(3)4/h6-11,22H,12H2,1-5H3,(H,23,26)
InChIKeyBVLVDSNGLRLMOO-UHFFFAOYSA-N
MW468.96 g/mol
LogP2.35
Rot. Bonds8

About 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 55898309) has the molecular formula C20H25ClN4O5S and a molecular weight of 468.96 g/mol. Its IUPAC name is 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID55898309
Molecular FormulaC20H25ClN4O5S
Molecular Weight468.96 g/mol
Exact Mass468.12
IUPAC Name4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN4O5S/c1-24(2)20(27)15-8-6-13(21)10-16(15)22-12-19(26)23-14-7-9-17(30-5)18(11-14)31(28,29)25(3)4/h6-11,22H,12H2,1-5H3,(H,23,26)
InChIKeyBVLVDSNGLRLMOO-UHFFFAOYSA-N
XLogP2.35
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55918830
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 55898309) is 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is COc1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is BVLVDSNGLRLMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O5S/c1-24(2)20(27)15-8-6-13(21)10-16(15)22-12-19(26)23-14-7-9-17(30-5)18(11-14)31(28,29)25(3)4/h6-11,22H,12H2,1-5H3,(H,23,26).
What are the key properties of 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 468.96 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55898309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).