N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide

C13H18N4O3S2 — CID 139011734

IUPACN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1nccn1CCCN(C)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N4O3S2/c1-10-15-4-7-17(10)6-3-5-16(2)13(18)11-8-12(21-9-11)22(14,19)20/h4,7-9H,3,5-6H2,1-2H3,(H2,14,19,20)
InChIKeyHBMMSAMIKPHBNZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.06
Rot. Bonds6

About N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide

N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 139011734) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID139011734
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC NameN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCc1nccn1CCCN(C)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N4O3S2/c1-10-15-4-7-17(10)6-3-5-16(2)13(18)11-8-12(21-9-11)22(14,19)20/h4,7-9H,3,5-6H2,1-2H3,(H2,14,19,20)
InChIKeyHBMMSAMIKPHBNZ-UHFFFAOYSA-N
XLogP1.06
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 51106312
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 53588648
[3-(2-Propan-2-ylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53618962
4-(3-Imidazol-1-ylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 56801174
N-[4-(2-nitroimidazol-1-yl)butyl]thiophene-3-carboxamide
CID 118722901
N-[[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95216579
N-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 38342814
N-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 56453328
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-3-carboxamide
CID 60417739
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)thiophene-3-carboxamide
CID 56754200
(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71800875
(4-((1-methyl-1H-imidazol-2-yl)sulfonyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 86265143

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide (CID 139011734) is N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide is Cc1nccn1CCCN(C)C(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is HBMMSAMIKPHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-10-15-4-7-17(10)6-3-5-16(2)13(18)11-8-12(21-9-11)22(14,19)20/h4,7-9H,3,5-6H2,1-2H3,(H2,14,19,20).
What are the key properties of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide?
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 139011734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).