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

C28H32N2O3S — CID 125078045

IUPACN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2cccc(C)c2C)cc1
InChIInChI=1S/C28H32N2O3S/c1-19-11-15-26(16-12-19)34(32,33)30(27-10-5-7-20(2)21(27)3)18-28(31)29-22(4)24-14-13-23-8-6-9-25(23)17-24/h5,7,10-17,22H,6,8-9,18H2,1-4H3,(H,29,31)/t22-/m1/s1
InChIKeyBRWGTTLYHFTAFI-JOCHJYFZSA-N
MW476.64 g/mol
LogP5.17
Rot. Bonds7

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

N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 125078045) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID125078045
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2cccc(C)c2C)cc1
InChIInChI=1S/C28H32N2O3S/c1-19-11-15-26(16-12-19)34(32,33)30(27-10-5-7-20(2)21(27)3)18-28(31)29-22(4)24-14-13-23-8-6-9-25(23)17-24/h5,7,10-17,22H,6,8-9,18H2,1-4H3,(H,29,31)/t22-/m1/s1
InChIKeyBRWGTTLYHFTAFI-JOCHJYFZSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063550
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188132
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084381
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 125079504
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188649
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133191999
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125064026
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188122
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188084
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125062930

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 125078045) is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2cccc(C)c2C)cc1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is BRWGTTLYHFTAFI-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-19-11-15-26(16-12-19)34(32,33)30(27-10-5-7-20(2)21(27)3)18-28(31)29-22(4)24-14-13-23-8-6-9-25(23)17-24/h5,7,10-17,22H,6,8-9,18H2,1-4H3,(H,29,31)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 476.64 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 125078045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).