2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

C19H23NOS — CID 40617650

IUPAC2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-16(12-13-17-8-4-2-5-9-17)20-19(21)15-22-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHHOUCWZKKAKPAP-MRXNPFEDSA-N
MW313.47 g/mol
LogP4.06
Rot. Bonds8

About 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 40617650) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID40617650
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-16(12-13-17-8-4-2-5-9-17)20-19(21)15-22-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHHOUCWZKKAKPAP-MRXNPFEDSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid
CID 43091556
3-[(2-benzylsulfanylacetyl)amino]-2-methylbutanoic acid
CID 113415799
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] carbamimidothioate
CID 40712388
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
2-benzylsulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252384

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 40617650) is 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is HHOUCWZKKAKPAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NOS/c1-16(12-13-17-8-4-2-5-9-17)20-19(21)15-22-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 40617650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).