N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide

C31H34N2O3S — CID 58990667

IUPACN-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H34N2O3S/c1-5-32(22-24-11-7-6-8-12-24)30(34)23-33(28-18-15-25-13-9-10-14-26(25)21-28)37(35,36)29-19-16-27(17-20-29)31(2,3)4/h6-21H,5,22-23H2,1-4H3
InChIKeyAMAMPHRXJNFIMD-UHFFFAOYSA-N
MW514.69 g/mol
LogP6.38
Rot. Bonds8

About N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide

N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide (PubChem CID 58990667) has the molecular formula C31H34N2O3S and a molecular weight of 514.69 g/mol. Its IUPAC name is N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide
PubChem CID58990667
Molecular FormulaC31H34N2O3S
Molecular Weight514.69 g/mol
Exact Mass514.23
IUPAC NameN-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H34N2O3S/c1-5-32(22-24-11-7-6-8-12-24)30(34)23-33(28-18-15-25-13-9-10-14-26(25)21-28)37(35,36)29-19-16-27(17-20-29)31(2,3)4/h6-21H,5,22-23H2,1-4H3
InChIKeyAMAMPHRXJNFIMD-UHFFFAOYSA-N
XLogP6.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-ethylacetamide
CID 58591194
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
N-benzyl-2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 58978395
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
CID 30169640
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-[N-(4-tert-butylphenyl)sulfonyl-3-(dimethylamino)anilino]-N-(2-hydroxyethyl)-N-(quinolin-2-ylmethyl)acetamide
CID 58978315
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891681
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N,N-dibenzylacetamide
CID 3130598
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide (CID 58990667) is N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide?
The InChIKey is AMAMPHRXJNFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3S/c1-5-32(22-24-11-7-6-8-12-24)30(34)23-33(28-18-15-25-13-9-10-14-26(25)21-28)37(35,36)29-19-16-27(17-20-29)31(2,3)4/h6-21H,5,22-23H2,1-4H3.
What are the key properties of N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide?
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide has a molecular weight of 514.69 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-naphthalen-2-ylamino]-N-ethylacetamide is sourced from PubChem (CID 58990667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).