(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C17H22N2OS2 — CID 7499841

IUPAC(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cs1
InChIInChI=1S/C17H22N2OS2/c1-5-11(2)14-8-6-7-9-15(14)19-16(20)13(4)22-17-18-12(3)10-21-17/h6-11,13H,5H2,1-4H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyUMMFFYIBEVLMBJ-DGCLKSJQSA-N
MW334.51 g/mol
LogP5.08
Rot. Bonds6

About (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 7499841) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID7499841
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cs1
InChIInChI=1S/C17H22N2OS2/c1-5-11(2)14-8-6-7-9-15(14)19-16(20)13(4)22-17-18-12(3)10-21-17/h6-11,13H,5H2,1-4H3,(H,19,20)/t11-,13-/m1/s1
InChIKeyUMMFFYIBEVLMBJ-DGCLKSJQSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2086791
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797841
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145059
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7284399
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 7499841) is (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cs1.
What is the InChIKey of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is UMMFFYIBEVLMBJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-5-11(2)14-8-6-7-9-15(14)19-16(20)13(4)22-17-18-12(3)10-21-17/h6-11,13H,5H2,1-4H3,(H,19,20)/t11-,13-/m1/s1.
What are the key properties of (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 334.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7499841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).