1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide

C27H28N2O3S — CID 100756510

IUPAC1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H28N2O3S/c1-18-8-12-24(19(2)16-18)26(20-6-4-3-5-7-20)28-33(31,32)23-11-13-25-22(17-23)14-15-29(25)27(30)21-9-10-21/h3-8,11-13,16-17,21,26,28H,9-10,14-15H2,1-2H3/t26-/m0/s1
InChIKeyNAJOVBMLZMFZSC-SANMLTNESA-N
MW460.60 g/mol
LogP4.67
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 100756510) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID100756510
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H28N2O3S/c1-18-8-12-24(19(2)16-18)26(20-6-4-3-5-7-20)28-33(31,32)23-11-13-25-22(17-23)14-15-29(25)27(30)21-9-10-21/h3-8,11-13,16-17,21,26,28H,9-10,14-15H2,1-2H3/t26-/m0/s1
InChIKeyNAJOVBMLZMFZSC-SANMLTNESA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133235692
1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133217573
1-(cyclopropanecarbonyl)-N-(4-methyl-4-phenylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 133160493
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100738258
1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100713818
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide (CID 100756510) is 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NAJOVBMLZMFZSC-SANMLTNESA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-18-8-12-24(19(2)16-18)26(20-6-4-3-5-7-20)28-33(31,32)23-11-13-25-22(17-23)14-15-29(25)27(30)21-9-10-21/h3-8,11-13,16-17,21,26,28H,9-10,14-15H2,1-2H3/t26-/m0/s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 460.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100756510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).