N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C26H28N2O3S — CID 125086770

IUPACN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2)cc1
InChIInChI=1S/C26H28N2O3S/c1-18-10-14-25(15-11-18)32(30,31)28(3)24-9-5-8-23(17-24)26(29)27-19(2)21-13-12-20-6-4-7-22(20)16-21/h5,8-17,19H,4,6-7H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyWJQFWTANZJWZGE-LJQANCHMSA-N
MW448.59 g/mol
LogP4.80
Rot. Bonds6

About N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 125086770) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID125086770
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC NameN-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2)cc1
InChIInChI=1S/C26H28N2O3S/c1-18-10-14-25(15-11-18)32(30,31)28(3)24-9-5-8-23(17-24)26(29)27-19(2)21-13-12-20-6-4-7-22(20)16-21/h5,8-17,19H,4,6-7H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyWJQFWTANZJWZGE-LJQANCHMSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188789
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063550
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084381
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 132673967
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125078045
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 125086770) is N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2)cc1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WJQFWTANZJWZGE-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-18-10-14-25(15-11-18)32(30,31)28(3)24-9-5-8-23(17-24)26(29)27-19(2)21-13-12-20-6-4-7-22(20)16-21/h5,8-17,19H,4,6-7H2,1-3H3,(H,27,29)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 448.59 g/mol, XLogP of 4.80, 6 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]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 125086770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).