N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide

C13H18N2O3S2 — CID 79818975

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)N(CC2CC2)C2CC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O3S2/c1-8-11(7-19-13(8)20(14,17)18)12(16)15(10-4-5-10)6-9-2-3-9/h7,9-10H,2-6H2,1H3,(H2,14,17,18)
InChIKeyWNURYHJCZGINSD-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.72
Rot. Bonds5

About N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide

N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 79818975) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID79818975
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCc1c(C(=O)N(CC2CC2)C2CC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O3S2/c1-8-11(7-19-13(8)20(14,17)18)12(16)15(10-4-5-10)6-9-2-3-9/h7,9-10H,2-6H2,1H3,(H2,14,17,18)
InChIKeyWNURYHJCZGINSD-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818255
4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65396129
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819218
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 81041961
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 79819054

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide (CID 79818975) is N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide is Cc1c(C(=O)N(CC2CC2)C2CC2)csc1S(N)(=O)=O.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is WNURYHJCZGINSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-8-11(7-19-13(8)20(14,17)18)12(16)15(10-4-5-10)6-9-2-3-9/h7,9-10H,2-6H2,1H3,(H2,14,17,18).
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide?
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 79818975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).