N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C27H28N2O4S — CID 46823673

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)C2CC2)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-16-21-6-3-4-9-26(21)29(19)34(31,32)25-8-5-7-22(17-25)27(30)28(23-12-13-23)18-20-10-14-24(33-2)15-11-20/h3-11,14-15,17,19,23H,12-13,16,18H2,1-2H3
InChIKeyINRKGNUHKOSUBH-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.64
Rot. Bonds7

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 46823673) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
PubChem CID46823673
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)C2CC2)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-16-21-6-3-4-9-26(21)29(19)34(31,32)25-8-5-7-22(17-25)27(30)28(23-12-13-23)18-20-10-14-24(33-2)15-11-20/h3-11,14-15,17,19,23H,12-13,16,18H2,1-2H3
InChIKeyINRKGNUHKOSUBH-UHFFFAOYSA-N
XLogP4.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 16578218
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 46626026
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
methyl 3-[[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-(2-methylpropyl)amino]propanoate
CID 55890650
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2334440
[2-(cyclooctylamino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2551237
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2551147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 46823673) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is COc1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The InChIKey is INRKGNUHKOSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-19-16-21-6-3-4-9-26(21)29(19)34(31,32)25-8-5-7-22(17-25)27(30)28(23-12-13-23)18-20-10-14-24(33-2)15-11-20/h3-11,14-15,17,19,23H,12-13,16,18H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 46823673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).