2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

C27H29ClN2O4S — CID 133188649

IUPAC2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NC(C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H29ClN2O4S/c1-18-7-12-24(13-8-18)35(32,33)30(25-16-23(28)11-14-26(25)34-3)17-27(31)29-19(2)21-10-9-20-5-4-6-22(20)15-21/h7-16,19H,4-6,17H2,1-3H3,(H,29,31)
InChIKeyWNAKKLLWDVPMAT-UHFFFAOYSA-N
MW513.06 g/mol
LogP5.22
Rot. Bonds8

About 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (PubChem CID 133188649) has the molecular formula C27H29ClN2O4S and a molecular weight of 513.06 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
PubChem CID133188649
Molecular FormulaC27H29ClN2O4S
Molecular Weight513.06 g/mol
Exact Mass512.15
IUPAC Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NC(C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H29ClN2O4S/c1-18-7-12-24(13-8-18)35(32,33)30(25-16-23(28)11-14-26(25)34-3)17-27(31)29-19(2)21-10-9-20-5-4-6-22(20)15-21/h7-16,19H,4-6,17H2,1-3H3,(H,29,31)
InChIKeyWNAKKLLWDVPMAT-UHFFFAOYSA-N
XLogP5.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.06
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125062930
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188132
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084381
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30307214
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133191999
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126342579
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188090
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43896563
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125078045
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 125079504

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (CID 133188649) is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NC(C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The InChIKey is WNAKKLLWDVPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4S/c1-18-7-12-24(13-8-18)35(32,33)30(25-16-23(28)11-14-26(25)34-3)17-27(31)29-19(2)21-10-9-20-5-4-6-22(20)15-21/h7-16,19H,4-6,17H2,1-3H3,(H,29,31).
What are the key properties of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide has a molecular weight of 513.06 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is sourced from PubChem (CID 133188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).