N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide

C21H26N2O4S — CID 20649308

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C21H26N2O4S/c1-14(2)13-22-28(25,26)20-12-16(9-11-19(20)27-3)21(24)23-18-10-8-15-6-4-5-7-17(15)18/h4-7,9,11-12,14,18,22H,8,10,13H2,1-3H3,(H,23,24)
InChIKeyBGPBKELYNRQWFN-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.05
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 20649308) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID20649308
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C21H26N2O4S/c1-14(2)13-22-28(25,26)20-12-16(9-11-19(20)27-3)21(24)23-18-10-8-15-6-4-5-7-17(15)18/h4-7,9,11-12,14,18,22H,8,10,13H2,1-3H3,(H,23,24)
InChIKeyBGPBKELYNRQWFN-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24560488
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7995350
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 9327585
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40985121

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide (CID 20649308) is N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide is COc1ccc(C(=O)NC2CCc3ccccc32)cc1S(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is BGPBKELYNRQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14(2)13-22-28(25,26)20-12-16(9-11-19(20)27-3)21(24)23-18-10-8-15-6-4-5-7-17(15)18/h4-7,9,11-12,14,18,22H,8,10,13H2,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 20649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).