N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide

C15H17ClN2O4S2 — CID 9375200

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2O4S2/c1-17(10-12-7-8-14(16)23-12)15(19)11-5-4-6-13(9-11)24(20,21)18(2)22-3/h4-9H,10H2,1-3H3
InChIKeyKWNSDLDVXHYZNV-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.86
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide (PubChem CID 9375200) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
PubChem CID9375200
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2O4S2/c1-17(10-12-7-8-14(16)23-12)15(19)11-5-4-6-13(9-11)24(20,21)18(2)22-3/h4-9H,10H2,1-3H3
InChIKeyKWNSDLDVXHYZNV-UHFFFAOYSA-N
XLogP2.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 39735531
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 9374642
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
N-[(5-chlorothiophen-2-yl)methyl]-3-methylsulfonyl-N-prop-2-enylbenzamide
CID 51177453
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide (CID 9375200) is N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide is CON(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is KWNSDLDVXHYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-17(10-12-7-8-14(16)23-12)15(19)11-5-4-6-13(9-11)24(20,21)18(2)22-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 388.90 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 9375200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).