2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide

C16H18ClN3O4S2 — CID 2425482

IUPAC2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C(N)=O)ccc1Cl
InChIInChI=1S/C16H18ClN3O4S2/c1-3-20(4-2)26(23,24)13-9-10(5-6-12(13)17)15(22)19-16-11(14(18)21)7-8-25-16/h5-9H,3-4H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyQUAYXOJSFGMVBH-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.78
Rot. Bonds7

About 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide

2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 2425482) has the molecular formula C16H18ClN3O4S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID2425482
Molecular FormulaC16H18ClN3O4S2
Molecular Weight415.92 g/mol
Exact Mass415.04
IUPAC Name2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C(N)=O)ccc1Cl
InChIInChI=1S/C16H18ClN3O4S2/c1-3-20(4-2)26(23,24)13-9-10(5-6-12(13)17)15(22)19-16-11(14(18)21)7-8-25-16/h5-9H,3-4H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyQUAYXOJSFGMVBH-UHFFFAOYSA-N
XLogP2.78
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide (CID 2425482) is 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C(N)=O)ccc1Cl.
What is the InChIKey of 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is QUAYXOJSFGMVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S2/c1-3-20(4-2)26(23,24)13-9-10(5-6-12(13)17)15(22)19-16-11(14(18)21)7-8-25-16/h5-9H,3-4H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide?
2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2425482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).