2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C26H30N4O3S — CID 135718625

IUPAC2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C26H30N4O3S/c1-30(16-23-28-21-13-7-5-11-19(21)25(32)29-23)26(33)20-12-6-8-14-22(20)34-17-24(31)27-15-18-9-3-2-4-10-18/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3,(H,27,31)(H,28,29,32)
InChIKeyBZGSMQYARWAQGW-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.98
Rot. Bonds8

About 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135718625) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135718625
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C26H30N4O3S/c1-30(16-23-28-21-13-7-5-11-19(21)25(32)29-23)26(33)20-12-6-8-14-22(20)34-17-24(31)27-15-18-9-3-2-4-10-18/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3,(H,27,31)(H,28,29,32)
InChIKeyBZGSMQYARWAQGW-UHFFFAOYSA-N
XLogP3.98
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 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-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
CID 135876422
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
2-methoxy-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135622288
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135718625) is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is BZGSMQYARWAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-30(16-23-28-21-13-7-5-11-19(21)25(32)29-23)26(33)20-12-6-8-14-22(20)34-17-24(31)27-15-18-9-3-2-4-10-18/h5-8,11-14,18H,2-4,9-10,15-17H2,1H3,(H,27,31)(H,28,29,32).
What are the key properties of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 478.62 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).