N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide

C18H22N4O2S — CID 97129063

IUPACN-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)N1CCCC1
InChIInChI=1S/C18H22N4O2S/c23-25(24,22-11-4-5-12-22)21-17-10-6-9-16-15(17)13-19-18(20-16)14-7-2-1-3-8-14/h1-3,7-8,13,17,21H,4-6,9-12H2/t17-/m1/s1
InChIKeyCPRCDDDYTQUTAF-QGZVFWFLSA-N
MW358.47 g/mol
LogP2.45
Rot. Bonds4

About N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide

N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide (PubChem CID 97129063) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide
PubChem CID97129063
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)N1CCCC1
InChIInChI=1S/C18H22N4O2S/c23-25(24,22-11-4-5-12-22)21-17-10-6-9-16-15(17)13-19-18(20-16)14-7-2-1-3-8-14/h1-3,7-8,13,17,21H,4-6,9-12H2/t17-/m1/s1
InChIKeyCPRCDDDYTQUTAF-QGZVFWFLSA-N
XLogP2.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
(5S)-2-phenyl-N-piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 97133887
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
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-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide (CID 97129063) is N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide is O=S(=O)(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)N1CCCC1.
What is the InChIKey of N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide?
The InChIKey is CPRCDDDYTQUTAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-25(24,22-11-4-5-12-22)21-17-10-6-9-16-15(17)13-19-18(20-16)14-7-2-1-3-8-14/h1-3,7-8,13,17,21H,4-6,9-12H2/t17-/m1/s1.
What are the key properties of N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide?
N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide has a molecular weight of 358.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 97129063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).