3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

C18H22N4O3S — CID 72860377

IUPAC3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
SMILESCS(=O)(=O)NCCC(=O)NC1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)20-11-10-17(23)21-15-8-5-9-16-14(15)12-19-18(22-16)13-6-3-2-4-7-13/h2-4,6-7,12,15,20H,5,8-11H2,1H3,(H,21,23)
InChIKeyLBWVVECZXGRWOQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.58
Rot. Bonds6

About 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide (PubChem CID 72860377) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
PubChem CID72860377
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
SMILESCS(=O)(=O)NCCC(=O)NC1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)20-11-10-17(23)21-15-8-5-9-16-14(15)12-19-18(22-16)13-6-3-2-4-7-13/h2-4,6-7,12,15,20H,5,8-11H2,1H3,(H,21,23)
InChIKeyLBWVVECZXGRWOQ-UHFFFAOYSA-N
XLogP1.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide 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

3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide
CID 97129063
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide (CID 72860377) is 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide is CS(=O)(=O)NCCC(=O)NC1CCCc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
The InChIKey is LBWVVECZXGRWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-26(24,25)20-11-10-17(23)21-15-8-5-9-16-14(15)12-19-18(22-16)13-6-3-2-4-7-13/h2-4,6-7,12,15,20H,5,8-11H2,1H3,(H,21,23).
What are the key properties of 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide?
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide has a molecular weight of 374.47 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide is sourced from PubChem (CID 72860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).