4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide

C16H18F2N4O3S — CID 38343741

IUPAC4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H18F2N4O3S/c1-21(10-14-19-8-9-22(14)16(17)18)15(23)11-2-6-13(7-3-11)26(24,25)20-12-4-5-12/h2-3,6-9,12,16,20H,4-5,10H2,1H3
InChIKeyTZYQFEUWOXKELA-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.99
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide

4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide (PubChem CID 38343741) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide
PubChem CID38343741
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H18F2N4O3S/c1-21(10-14-19-8-9-22(14)16(17)18)15(23)11-2-6-13(7-3-11)26(24,25)20-12-4-5-12/h2-3,6-9,12,16,20H,4-5,10H2,1H3
InChIKeyTZYQFEUWOXKELA-UHFFFAOYSA-N
XLogP1.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
CID 31403750
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
4-(cyclopropylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 18195060
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 42949411
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
4-(cyclopropylsulfamoyl)-N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 31548713
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119123974
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide (CID 38343741) is 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide is CN(Cc1nccn1C(F)F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is TZYQFEUWOXKELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-21(10-14-19-8-9-22(14)16(17)18)15(23)11-2-6-13(7-3-11)26(24,25)20-12-4-5-12/h2-3,6-9,12,16,20H,4-5,10H2,1H3.
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide?
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 384.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 38343741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).