(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide

C15H18N4O2S — CID 7144979

IUPAC(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
SMILESCc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N4O2S/c1-8(2)12(13(20)19-15(16)21)22-14-10-6-4-5-7-11(10)17-9(3)18-14/h4-8,12H,1-3H3,(H3,16,19,20,21)/t12-/m0/s1
InChIKeyWNIYABWOCHANJT-LBPRGKRZSA-N
MW318.40 g/mol
LogP2.25
Rot. Bonds4

About (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide

(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide (PubChem CID 7144979) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
PubChem CID7144979
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
SMILESCc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N4O2S/c1-8(2)12(13(20)19-15(16)21)22-14-10-6-4-5-7-11(10)17-9(3)18-14/h4-8,12H,1-3H3,(H3,16,19,20,21)/t12-/m0/s1
InChIKeyWNIYABWOCHANJT-LBPRGKRZSA-N
XLogP2.25
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 41328404
N-carbamoyl-3-methyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide
CID 42978093
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
(2S)-N-carbamoyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 7438596
(2S)-N-carbamoyl-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-methylbutanamide
CID 7855393
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
(2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid
CID 7454509
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145059
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide?
The IUPAC name of (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide (CID 7144979) is (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide.
What is the SMILES notation for (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide?
The canonical SMILES for (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide is Cc1nc(S[C@H](C(=O)NC(N)=O)C(C)C)c2ccccc2n1.
What is the InChIKey of (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide?
The InChIKey is WNIYABWOCHANJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-8(2)12(13(20)19-15(16)21)22-14-10-6-4-5-7-11(10)17-9(3)18-14/h4-8,12H,1-3H3,(H3,16,19,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide?
(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide has a molecular weight of 318.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 7144979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).