2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C28H32N2O5S — CID 28544264

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C28H32N2O5S/c1-34-26-16-15-23(19-27(26)35-2)36(32,33)30(18-17-21-9-4-3-5-10-21)20-28(31)29-25-14-8-12-22-11-6-7-13-24(22)25/h3-7,9-11,13,15-16,19,25H,8,12,14,17-18,20H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyICCNXXUKTDRGGZ-VWLOTQADSA-N
MW508.64 g/mol
LogP4.13
Rot. Bonds10

About 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28544264) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28544264
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C28H32N2O5S/c1-34-26-16-15-23(19-27(26)35-2)36(32,33)30(18-17-21-9-4-3-5-10-21)20-28(31)29-25-14-8-12-22-11-6-7-13-24(22)25/h3-7,9-11,13,15-16,19,25H,8,12,14,17-18,20H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyICCNXXUKTDRGGZ-VWLOTQADSA-N
XLogP4.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548851
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28538778
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43896966

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28544264) is 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ICCNXXUKTDRGGZ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-34-26-16-15-23(19-27(26)35-2)36(32,33)30(18-17-21-9-4-3-5-10-21)20-28(31)29-25-14-8-12-22-11-6-7-13-24(22)25/h3-7,9-11,13,15-16,19,25H,8,12,14,17-18,20H2,1-2H3,(H,29,31)/t25-/m0/s1.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 508.64 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28544264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).