N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C18H19N3O3S — CID 166268740

IUPACN-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)15-4-2-1-3-5-15)13-8-9-16-14(10-13)11-19-17(20-16)12-6-7-12/h1-5,11-13H,6-10H2,(H,21,22)
InChIKeyUHHICHSBVXCSSU-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.96
Rot. Bonds4

About N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 166268740) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID166268740
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)15-4-2-1-3-5-15)13-8-9-16-14(10-13)11-19-17(20-16)12-6-7-12/h1-5,11-13H,6-10H2,(H,21,22)
InChIKeyUHHICHSBVXCSSU-UHFFFAOYSA-N
XLogP1.96
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 166268740) is N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is O=C(NS(=O)(=O)c1ccccc1)C1CCc2nc(C3CC3)ncc2C1.
What is the InChIKey of N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is UHHICHSBVXCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-18(21-25(23,24)15-4-2-1-3-5-15)13-8-9-16-14(10-13)11-19-17(20-16)12-6-7-12/h1-5,11-13H,6-10H2,(H,21,22).
What are the key properties of N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 166268740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).