(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C18H19NO4S — CID 95330686

IUPAC(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@H]2CCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO4S/c1-12-11-14(8-10-17(12)23-2)24(21,22)19-18(20)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyXHSFPIIYKAUDQE-INIZCTEOSA-N
MW345.42 g/mol
LogP2.54
Rot. Bonds4

About (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 95330686) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID95330686
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@H]2CCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO4S/c1-12-11-14(8-10-17(12)23-2)24(21,22)19-18(20)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyXHSFPIIYKAUDQE-INIZCTEOSA-N
XLogP2.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310029
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310096
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559494
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
N-[4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]phenyl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135309780
(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429154
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 95330686) is (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(S(=O)(=O)NC(=O)[C@H]2CCc3ccccc32)cc1C.
What is the InChIKey of (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is XHSFPIIYKAUDQE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-12-11-14(8-10-17(12)23-2)24(21,22)19-18(20)16-9-7-13-5-3-4-6-15(13)16/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
(1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 95330686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).