3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide

C25H28N4O3S — CID 27191122

IUPAC3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)c1ccccc1
InChIInChI=1S/C25H28N4O3S/c26-22(30)15-16-28(18-9-3-1-4-10-18)23(31)17-33-25-27-21-14-8-7-13-20(21)24(32)29(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H2,26,30)
InChIKeyJXQKLACFDDUHPL-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.90
Rot. Bonds8

About 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide

3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide (PubChem CID 27191122) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
PubChem CID27191122
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)c1ccccc1
InChIInChI=1S/C25H28N4O3S/c26-22(30)15-16-28(18-9-3-1-4-10-18)23(31)17-33-25-27-21-14-8-7-13-20(21)24(32)29(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H2,26,30)
InChIKeyJXQKLACFDDUHPL-UHFFFAOYSA-N
XLogP3.90
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320646
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 8981515
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46668886
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide (CID 27191122) is 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide?
The InChIKey is JXQKLACFDDUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c26-22(30)15-16-28(18-9-3-1-4-10-18)23(31)17-33-25-27-21-14-8-7-13-20(21)24(32)29(25)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H2,26,30).
What are the key properties of 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide?
3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide has a molecular weight of 464.59 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 27191122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).