N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide

C16H18N2O3S2 — CID 47082304

IUPACN-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12(19)17-14-2-6-16(7-3-14)23(20,21)18(15-4-5-15)10-13-8-9-22-11-13/h2-3,6-9,11,15H,4-5,10H2,1H3,(H,17,19)
InChIKeyZJXFTEKUVQUIMX-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide

N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide (PubChem CID 47082304) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
PubChem CID47082304
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-12(19)17-14-2-6-16(7-3-14)23(20,21)18(15-4-5-15)10-13-8-9-22-11-13/h2-3,6-9,11,15H,4-5,10H2,1H3,(H,17,19)
InChIKeyZJXFTEKUVQUIMX-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
CID 166288275
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide (CID 47082304) is N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZJXFTEKUVQUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12(19)17-14-2-6-16(7-3-14)23(20,21)18(15-4-5-15)10-13-8-9-22-11-13/h2-3,6-9,11,15H,4-5,10H2,1H3,(H,17,19).
What are the key properties of N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide?
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 47082304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).