2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C19H21N3O4S — CID 25492643

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-12-19(24)22-18-11-6-14-4-2-3-5-17(14)18/h2-5,7-10,18,20H,6,11-12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyHRLIWMLCPRSJFT-SFHVURJKSA-N
MW387.46 g/mol
LogP1.73
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 25492643) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID25492643
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-12-19(24)22-18-11-6-14-4-2-3-5-17(14)18/h2-5,7-10,18,20H,6,11-12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyHRLIWMLCPRSJFT-SFHVURJKSA-N
XLogP1.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 41080998
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 110370938

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 25492643) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ccccc32)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is HRLIWMLCPRSJFT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)20-12-19(24)22-18-11-6-14-4-2-3-5-17(14)18/h2-5,7-10,18,20H,6,11-12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 25492643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).