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

C17H20N2O2S2 — CID 29315538

IUPACN-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C17H20N2O2S2/c1-4-5-15(20)19-14-8-6-13(7-9-14)16(21)12(3)23-17-18-11(2)10-22-17/h6-10,12H,4-5H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyNHCPMYLJCROWMN-GFCCVEGCSA-N
MW348.49 g/mol
LogP4.55
Rot. Bonds7

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

N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide (PubChem CID 29315538) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide
PubChem CID29315538
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C)cs2)cc1
InChIInChI=1S/C17H20N2O2S2/c1-4-5-15(20)19-14-8-6-13(7-9-14)16(21)12(3)23-17-18-11(2)10-22-17/h6-10,12H,4-5H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyNHCPMYLJCROWMN-GFCCVEGCSA-N
XLogP4.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide with MolForge

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Related Compounds

(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202
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CID 7326262
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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N-[4-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]phenyl]butanamide
CID 18098754
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 46669341
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
N-[4-[(2S)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]butanamide
CID 51935162
N-(3-amino-4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43104704
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide?
The IUPAC name of N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide (CID 29315538) is N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C)cs2)cc1.
What is the InChIKey of N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide?
The InChIKey is NHCPMYLJCROWMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-4-5-15(20)19-14-8-6-13(7-9-14)16(21)12(3)23-17-18-11(2)10-22-17/h6-10,12H,4-5H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide?
N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide has a molecular weight of 348.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]phenyl]butanamide is sourced from PubChem (CID 29315538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).