4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide

C24H25N5O2S — CID 24579377

IUPAC4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25N5O2S/c30-21(28-12-14-29(15-13-28)24(31)25-18-6-2-1-3-7-18)16-32-23-19-8-4-5-9-20(19)26-22(27-23)17-10-11-17/h1-9,17H,10-16H2,(H,25,31)
InChIKeyVOYJTKFJQRKYFN-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.98
Rot. Bonds5

About 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide

4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 24579377) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID24579377
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CSc1nc(C2CC2)nc2ccccc12)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25N5O2S/c30-21(28-12-14-29(15-13-28)24(31)25-18-6-2-1-3-7-18)16-32-23-19-8-4-5-9-20(19)26-22(27-23)17-10-11-17/h1-9,17H,10-16H2,(H,25,31)
InChIKeyVOYJTKFJQRKYFN-UHFFFAOYSA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 24579397
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24579297
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24579325
2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 43814889
4-[2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 24621264
N-tert-butyl-2-(2-cyclohexylquinazolin-4-yl)sulfanylacetamide
CID 1465918
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
CID 24579416
N-phenyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxamide
CID 24518805
N-[1-[4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 24579384
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1465916
ethyl 2-[[2-(2-cyclohexylquinazolin-4-yl)sulfanylacetyl]amino]acetate
CID 3206394
2-(2-benzylquinazolin-4-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 3221470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide (CID 24579377) is 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide is O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is VOYJTKFJQRKYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c30-21(28-12-14-29(15-13-28)24(31)25-18-6-2-1-3-7-18)16-32-23-19-8-4-5-9-20(19)26-22(27-23)17-10-11-17/h1-9,17H,10-16H2,(H,25,31).
What are the key properties of 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 24579377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).