N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide

C16H19N3O4S2 — CID 154835109

IUPACN-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-2-9-18-16(21)11-3-5-12(6-4-11)19-14(20)10-13-7-8-15(24-13)25(17,22)23/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyTXSRNTLOFRIHJO-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.72
Rot. Bonds7

About N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide

N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide (PubChem CID 154835109) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
PubChem CID154835109
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-2-9-18-16(21)11-3-5-12(6-4-11)19-14(20)10-13-7-8-15(24-13)25(17,22)23/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyTXSRNTLOFRIHJO-UHFFFAOYSA-N
XLogP1.72
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
CID 154845795
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
N-pentan-2-yl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47166864
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64723560
2-(5-sulfamoylthiophen-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 65386753
4-(hexanoylamino)-N-propylbenzamide
CID 17218821

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide (CID 154835109) is N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide is CCCNC(=O)c1ccc(NC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide?
The InChIKey is TXSRNTLOFRIHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-2-9-18-16(21)11-3-5-12(6-4-11)19-14(20)10-13-7-8-15(24-13)25(17,22)23/h3-8H,2,9-10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide?
N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide has a molecular weight of 381.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 154835109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).