2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide

C17H20N2OS — CID 95375385

IUPAC2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C17H20N2OS/c1-12(2)21-16-7-5-4-6-15(16)17(20)19-13(3)14-8-10-18-11-9-14/h4-13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyYHROCOCAJGKBJF-ZDUSSCGKSA-N
MW300.43 g/mol
LogP4.07
Rot. Bonds5

About 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide

2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide (PubChem CID 95375385) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
PubChem CID95375385
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C17H20N2OS/c1-12(2)21-16-7-5-4-6-15(16)17(20)19-13(3)14-8-10-18-11-9-14/h4-13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyYHROCOCAJGKBJF-ZDUSSCGKSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide (CID 95375385) is 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide is CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is YHROCOCAJGKBJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(2)21-16-7-5-4-6-15(16)17(20)19-13(3)14-8-10-18-11-9-14/h4-13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 300.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 95375385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).