N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C18H21FN2O4S — CID 43891290

IUPACN-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C18H21FN2O4S/c1-3-20-18(22)15(11-13-7-5-4-6-8-13)21-26(23,24)17-12-14(19)9-10-16(17)25-2/h4-10,12,15,21H,3,11H2,1-2H3,(H,20,22)
InChIKeyZXFWJIKTLVLMAV-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.86
Rot. Bonds8

About N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891290) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891290
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C18H21FN2O4S/c1-3-20-18(22)15(11-13-7-5-4-6-8-13)21-26(23,24)17-12-14(19)9-10-16(17)25-2/h4-10,12,15,21H,3,11H2,1-2H3,(H,20,22)
InChIKeyZXFWJIKTLVLMAV-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 43891365
N-cyclohexyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891299
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891324
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891401
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540516
(2S)-N-(2,5-difluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540498
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891290) is N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZXFWJIKTLVLMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-20-18(22)15(11-13-7-5-4-6-8-13)21-26(23,24)17-12-14(19)9-10-16(17)25-2/h4-10,12,15,21H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 380.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).