(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide

C18H21FN2O4S — CID 30291890

IUPAC(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-12(2)18(22)20-14-7-10-17(25-3)16(11-14)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyJWJZDXAWKMAYOF-GFCCVEGCSA-N
MW380.44 g/mol
LogP3.62
Rot. Bonds7

About (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide

(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide (PubChem CID 30291890) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
PubChem CID30291890
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-12(2)18(22)20-14-7-10-17(25-3)16(11-14)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyJWJZDXAWKMAYOF-GFCCVEGCSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
CID 3525774
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide (CID 30291890) is (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide?
The InChIKey is JWJZDXAWKMAYOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-12(2)18(22)20-14-7-10-17(25-3)16(11-14)21-26(23,24)15-8-5-13(19)6-9-15/h5-12,21H,4H2,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide?
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide has a molecular weight of 380.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide is sourced from PubChem (CID 30291890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).