2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

C25H27ClN2O6S — CID 43902050

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27ClN2O6S/c1-18(17-34-21-12-10-20(32-2)11-13-21)27-25(29)16-28(23-15-19(26)9-14-24(23)33-3)35(30,31)22-7-5-4-6-8-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)
InChIKeyBOJCRLSQQVAHFO-UHFFFAOYSA-N
MW519.02 g/mol
LogP4.14
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 43902050) has the molecular formula C25H27ClN2O6S and a molecular weight of 519.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID43902050
Molecular FormulaC25H27ClN2O6S
Molecular Weight519.02 g/mol
Exact Mass518.13
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27ClN2O6S/c1-18(17-34-21-12-10-20(32-2)11-13-21)27-25(29)16-28(23-15-19(26)9-14-24(23)33-3)35(30,31)22-7-5-4-6-8-22/h4-15,18H,16-17H2,1-3H3,(H,27,29)
InChIKeyBOJCRLSQQVAHFO-UHFFFAOYSA-N
XLogP4.14
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902063
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
CID 126269673
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078051
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 92681700
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133200085
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92676806

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 43902050) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OCC(C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is BOJCRLSQQVAHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O6S/c1-18(17-34-21-12-10-20(32-2)11-13-21)27-25(29)16-28(23-15-19(26)9-14-24(23)33-3)35(30,31)22-7-5-4-6-8-22/h4-15,18H,16-17H2,1-3H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 519.02 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43902050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).