N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide

C15H17ClN2O3S2 — CID 9107610

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2O3S2/c1-3-17-23(20,21)13-7-4-11(5-8-13)15(19)18(2)10-12-6-9-14(16)22-12/h4-9,17H,3,10H2,1-2H3
InChIKeyXGDJDXCPKBAINV-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.97
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide (PubChem CID 9107610) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
PubChem CID9107610
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2O3S2/c1-3-17-23(20,21)13-7-4-11(5-8-13)15(19)18(2)10-12-6-9-14(16)22-12/h4-9,17H,3,10H2,1-2H3
InChIKeyXGDJDXCPKBAINV-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 51177409
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 39756672
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
CID 62179430
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide (CID 9107610) is N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide is CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide?
The InChIKey is XGDJDXCPKBAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-3-17-23(20,21)13-7-4-11(5-8-13)15(19)18(2)10-12-6-9-14(16)22-12/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide has a molecular weight of 372.90 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 9107610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).