N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide

C13H18N2O3S2 — CID 103839322

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2(C3CC3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-7-13(4-5-13)9-2-3-9/h6,9H,2-5,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCMEJBXHCCGMOSB-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.62
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide

N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 103839322) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID103839322
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2(C3CC3)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-7-13(4-5-13)9-2-3-9/h6,9H,2-5,7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCMEJBXHCCGMOSB-UHFFFAOYSA-N
XLogP1.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
CID 115612472
5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 113352947
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide (CID 103839322) is N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)NCC2(C3CC3)CC2)cc1S(N)(=O)=O.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is CMEJBXHCCGMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-8-11(20(14,17)18)6-10(19-8)12(16)15-7-13(4-5-13)9-2-3-9/h6,9H,2-5,7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide?
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 103839322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).