N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

C28H34N2O4S — CID 43900174

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1C
InChIInChI=1S/C28H34N2O4S/c1-20-18-25(16-17-26(20)34-6)35(32,33)30(24-10-8-7-9-11-24)19-27(31)29-21(2)22-12-14-23(15-13-22)28(3,4)5/h7-18,21H,19H2,1-6H3,(H,29,31)
InChIKeyYKUPAVDUUOTPAF-UHFFFAOYSA-N
MW494.66 g/mol
LogP5.37
Rot. Bonds8

About N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43900174) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
PubChem CID43900174
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1C
InChIInChI=1S/C28H34N2O4S/c1-20-18-25(16-17-26(20)34-6)35(32,33)30(24-10-8-7-9-11-24)19-27(31)29-21(2)22-12-14-23(15-13-22)28(3,4)5/h7-18,21H,19H2,1-6H3,(H,29,31)
InChIKeyYKUPAVDUUOTPAF-UHFFFAOYSA-N
XLogP5.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900475
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 2260743
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3136595
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 133188756
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 99130148
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99130645

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide (CID 43900174) is N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1C.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is YKUPAVDUUOTPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-20-18-25(16-17-26(20)34-6)35(32,33)30(24-10-8-7-9-11-24)19-27(31)29-21(2)22-12-14-23(15-13-22)28(3,4)5/h7-18,21H,19H2,1-6H3,(H,29,31).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 494.66 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43900174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).