N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide

C16H20N4O3S — CID 2812239

IUPACN-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide
SMILESCc1nc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)cn1C
InChIInChI=1S/C16H20N4O3S/c1-11-18-15(10-20(11)2)24(22,23)19-14-6-4-3-5-13(14)16(21)17-9-12-7-8-12/h3-6,10,12,19H,7-9H2,1-2H3,(H,17,21)
InChIKeyNNAZDAUENBDMEQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.67
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide

N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide (PubChem CID 2812239) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide
PubChem CID2812239
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide
SMILESCc1nc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)cn1C
InChIInChI=1S/C16H20N4O3S/c1-11-18-15(10-20(11)2)24(22,23)19-14-6-4-3-5-13(14)16(21)17-9-12-7-8-12/h3-6,10,12,19H,7-9H2,1-2H3,(H,17,21)
InChIKeyNNAZDAUENBDMEQ-UHFFFAOYSA-N
XLogP1.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide (CID 2812239) is N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide is Cc1nc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)cn1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide?
The InChIKey is NNAZDAUENBDMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-18-15(10-20(11)2)24(22,23)19-14-6-4-3-5-13(14)16(21)17-9-12-7-8-12/h3-6,10,12,19H,7-9H2,1-2H3,(H,17,21).
What are the key properties of N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide?
N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide has a molecular weight of 348.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 2812239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).