2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C27H29N3O6S — CID 126183245

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C27H29N3O6S/c1-35-24-15-14-21(18-25(24)36-2)37(33,34)30(20-10-4-3-5-11-20)19-26(31)28-23-13-7-6-12-22(23)27(32)29-16-8-9-17-29/h3-7,10-15,18H,8-9,16-17,19H2,1-2H3,(H,28,31)
InChIKeyCSFAFUCSIGZMDQ-UHFFFAOYSA-N
MW523.61 g/mol
LogP3.77
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 126183245) has the molecular formula C27H29N3O6S and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID126183245
Molecular FormulaC27H29N3O6S
Molecular Weight523.61 g/mol
Exact Mass523.18
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C27H29N3O6S/c1-35-24-15-14-21(18-25(24)36-2)37(33,34)30(20-10-4-3-5-11-20)19-26(31)28-23-13-7-6-12-22(23)27(32)29-16-8-9-17-29/h3-7,10-15,18H,8-9,16-17,19H2,1-2H3,(H,28,31)
InChIKeyCSFAFUCSIGZMDQ-UHFFFAOYSA-N
XLogP3.77
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 43899804
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126029640
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 2977453
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126031095
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 30267910
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126416060
ethyl 2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]benzoate
CID 1314434
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 126183245) is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is CSFAFUCSIGZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6S/c1-35-24-15-14-21(18-25(24)36-2)37(33,34)30(20-10-4-3-5-11-20)19-26(31)28-23-13-7-6-12-22(23)27(32)29-16-8-9-17-29/h3-7,10-15,18H,8-9,16-17,19H2,1-2H3,(H,28,31).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 523.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 126183245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).