N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide

C20H25ClN2O5S — CID 132672211

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-5-18(20(24)22-17-13-14(21)7-12-19(17)27-3)23(29(4,25)26)15-8-10-16(11-9-15)28-6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24)
InChIKeyCZEIJIBQYJHKJP-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.93
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide

N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132672211) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
PubChem CID132672211
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-5-18(20(24)22-17-13-14(21)7-12-19(17)27-3)23(29(4,25)26)15-8-10-16(11-9-15)28-6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24)
InChIKeyCZEIJIBQYJHKJP-UHFFFAOYSA-N
XLogP3.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132667648
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673391
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126323635
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132673402
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]butanamide
CID 28567324
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 94027037
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 132668084
methyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674395
(2R)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125052242
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide (CID 132672211) is N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide is CCOc1ccc(N(C(CC)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is CZEIJIBQYJHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-5-18(20(24)22-17-13-14(21)7-12-19(17)27-3)23(29(4,25)26)15-8-10-16(11-9-15)28-6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 440.95 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132672211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).