N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

C18H25N3O4S — CID 2231501

IUPACN-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2n(CC)c1=O
InChIInChI=1S/C18H25N3O4S/c1-3-20-16-11-10-14(12-15(16)17(22)21(4-2)18(20)23)26(24,25)19-13-8-6-5-7-9-13/h10-13,19H,3-9H2,1-2H3
InChIKeyJDSDUKWKXBQQSA-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.81
Rot. Bonds5

About N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide

N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 2231501) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID2231501
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCCn1c(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2n(CC)c1=O
InChIInChI=1S/C18H25N3O4S/c1-3-20-16-11-10-14(12-15(16)17(22)21(4-2)18(20)23)26(24,25)19-13-8-6-5-7-9-13/h10-13,19H,3-9H2,1-2H3
InChIKeyJDSDUKWKXBQQSA-UHFFFAOYSA-N
XLogP1.81
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 2231501) is N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is CCn1c(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2n(CC)c1=O.
What is the InChIKey of N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is JDSDUKWKXBQQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-20-16-11-10-14(12-15(16)17(22)21(4-2)18(20)23)26(24,25)19-13-8-6-5-7-9-13/h10-13,19H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 2231501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).