N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide

C18H21FN2O3S — CID 110497979

IUPACN-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)21(4-2)15-8-6-5-7-9-15)20-25(23,24)16-12-10-14(19)11-13-16/h5-13,17,20H,3-4H2,1-2H3
InChIKeyWVJRTLYPFOEGNM-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.94
Rot. Bonds7

About N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide

N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide (PubChem CID 110497979) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
PubChem CID110497979
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)21(4-2)15-8-6-5-7-9-15)20-25(23,24)16-12-10-14(19)11-13-16/h5-13,17,20H,3-4H2,1-2H3
InChIKeyWVJRTLYPFOEGNM-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-fluorophenyl)sulfonylamino]butanoyl-methylamino]propanoic acid
CID 110496389
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
CID 110496326
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496382
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide (CID 110497979) is N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide?
The InChIKey is WVJRTLYPFOEGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-17(18(22)21(4-2)15-8-6-5-7-9-15)20-25(23,24)16-12-10-14(19)11-13-16/h5-13,17,20H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide?
N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide has a molecular weight of 364.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide is sourced from PubChem (CID 110497979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).