2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C26H27ClN2O4S — CID 28548851

IUPAC2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C26H27ClN2O4S/c1-33-24-15-14-21(27)16-25(24)34(31,32)29(17-19-8-3-2-4-9-19)18-26(30)28-23-13-7-11-20-10-5-6-12-22(20)23/h2-6,8-10,12,14-16,23H,7,11,13,17-18H2,1H3,(H,28,30)/t23-/m1/s1
InChIKeyBGGXNSZUMGIGRH-HSZRJFAPSA-N
MW499.03 g/mol
LogP4.73
Rot. Bonds8

About 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28548851) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28548851
Molecular FormulaC26H27ClN2O4S
Molecular Weight499.03 g/mol
Exact Mass498.14
IUPAC Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C26H27ClN2O4S/c1-33-24-15-14-21(27)16-25(24)34(31,32)29(17-19-8-3-2-4-9-19)18-26(30)28-23-13-7-11-20-10-5-6-12-22(20)23/h2-6,8-10,12,14-16,23H,7,11,13,17-18H2,1H3,(H,28,30)/t23-/m1/s1
InChIKeyBGGXNSZUMGIGRH-HSZRJFAPSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.03
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544264
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28543077
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548010
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43872076
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551622

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28548851) is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is BGGXNSZUMGIGRH-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-33-24-15-14-21(27)16-25(24)34(31,32)29(17-19-8-3-2-4-9-19)18-26(30)28-23-13-7-11-20-10-5-6-12-22(20)23/h2-6,8-10,12,14-16,23H,7,11,13,17-18H2,1H3,(H,28,30)/t23-/m1/s1.
What are the key properties of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 499.03 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28548851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).