(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide

C16H22N4O3S — CID 126444405

IUPAC(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCCS(=O)(=O)CCNC(=O)[C@H](C)Nc1ncnc2ccc(C)cc12
InChIInChI=1S/C16H22N4O3S/c1-4-24(22,23)8-7-17-16(21)12(3)20-15-13-9-11(2)5-6-14(13)18-10-19-15/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,17,21)(H,18,19,20)/t12-/m0/s1
InChIKeyFXZBIPGRUITRBL-LBPRGKRZSA-N
MW350.44 g/mol
LogP1.29
Rot. Bonds7

About (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide

(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide (PubChem CID 126444405) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
PubChem CID126444405
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
SMILESCCS(=O)(=O)CCNC(=O)[C@H](C)Nc1ncnc2ccc(C)cc12
InChIInChI=1S/C16H22N4O3S/c1-4-24(22,23)8-7-17-16(21)12(3)20-15-13-9-11(2)5-6-14(13)18-10-19-15/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,17,21)(H,18,19,20)/t12-/m0/s1
InChIKeyFXZBIPGRUITRBL-LBPRGKRZSA-N
XLogP1.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide with MolForge

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 131931125
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192
diethyl 2-[[(6-methylquinazolin-4-yl)amino]methylidene]propanedioate
CID 13060478
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
CID 133429933
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
(2S)-2-[[6-(5-cyano-6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 175431191
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The IUPAC name of (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide (CID 126444405) is (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide is CCS(=O)(=O)CCNC(=O)[C@H](C)Nc1ncnc2ccc(C)cc12.
What is the InChIKey of (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide?
The InChIKey is FXZBIPGRUITRBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-24(22,23)8-7-17-16(21)12(3)20-15-13-9-11(2)5-6-14(13)18-10-19-15/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,17,21)(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide?
(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide has a molecular weight of 350.44 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 126444405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).