(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

C26H27NO5S — CID 135313457

IUPAC(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc(C2CCCC2)c2c1[C@@H](C(=O)NS(=O)(=O)c1cccc3ccccc13)CCO2
InChIInChI=1S/C26H27NO5S/c1-31-22-14-13-20(18-8-2-3-9-18)25-24(22)21(15-16-32-25)26(28)27-33(29,30)23-12-6-10-17-7-4-5-11-19(17)23/h4-7,10-14,18,21H,2-3,8-9,15-16H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyNRLCGFQCIPUTEK-NRFANRHFSA-N
MW465.57 g/mol
LogP4.88
Rot. Bonds5

About (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide

(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 135313457) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID135313457
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc(C2CCCC2)c2c1[C@@H](C(=O)NS(=O)(=O)c1cccc3ccccc13)CCO2
InChIInChI=1S/C26H27NO5S/c1-31-22-14-13-20(18-8-2-3-9-18)25-24(22)21(15-16-32-25)26(28)27-33(29,30)23-12-6-10-17-7-4-5-11-19(17)23/h4-7,10-14,18,21H,2-3,8-9,15-16H2,1H3,(H,27,28)/t21-/m0/s1
InChIKeyNRLCGFQCIPUTEK-NRFANRHFSA-N
XLogP4.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313344
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
(3R)-7-cyclobutyl-4-methoxy-N-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 135311779
(3R)-7-cyclobutyl-4-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylsulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 135311567
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735

Frequently Asked Questions

What is the IUPAC name of (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 135313457) is (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is COc1ccc(C2CCCC2)c2c1[C@@H](C(=O)NS(=O)(=O)c1cccc3ccccc13)CCO2.
What is the InChIKey of (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is NRLCGFQCIPUTEK-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-31-22-14-13-20(18-8-2-3-9-18)25-24(22)21(15-16-32-25)26(28)27-33(29,30)23-12-6-10-17-7-4-5-11-19(17)23/h4-7,10-14,18,21H,2-3,8-9,15-16H2,1H3,(H,27,28)/t21-/m0/s1.
What are the key properties of (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide?
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 135313457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).