(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide

C16H24N2O4S — CID 7801539

IUPAC(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-6-7-13(5-2)16(20)17-14-8-10-15(11-9-14)23(21,22)18-12(3)19/h8-11,13H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyUYGPNXHYDXTVLM-ZDUSSCGKSA-N
MW340.44 g/mol
LogP2.67
Rot. Bonds8

About (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide

(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide (PubChem CID 7801539) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide.

Molecular Properties

Compound Name(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
PubChem CID7801539
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-6-7-13(5-2)16(20)17-14-8-10-15(11-9-14)23(21,22)18-12(3)19/h8-11,13H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyUYGPNXHYDXTVLM-ZDUSSCGKSA-N
XLogP2.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
CID 95970135
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
2-ethyl-N-[4-[1-(ethylamino)ethyl]phenyl]hexanamide
CID 43507662
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
CID 2437234
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide?
The IUPAC name of (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide (CID 7801539) is (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide.
What is the SMILES notation for (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide?
The canonical SMILES for (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide is CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide?
The InChIKey is UYGPNXHYDXTVLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-6-7-13(5-2)16(20)17-14-8-10-15(11-9-14)23(21,22)18-12(3)19/h8-11,13H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide?
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide has a molecular weight of 340.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide is sourced from PubChem (CID 7801539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).