N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide

C19H19NO2S — CID 9366374

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESC[C@H](NC(=O)CCSc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19NO2S/c1-14(18-13-15-7-5-6-10-17(15)22-18)20-19(21)11-12-23-16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyJWGZNOGWZPYSPE-AWEZNQCLSA-N
MW325.43 g/mol
LogP4.79
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 9366374) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID9366374
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
SMILESC[C@H](NC(=O)CCSc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19NO2S/c1-14(18-13-15-7-5-6-10-17(15)22-18)20-19(21)11-12-23-16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyJWGZNOGWZPYSPE-AWEZNQCLSA-N
XLogP4.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide (CID 9366374) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide is C[C@H](NC(=O)CCSc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is JWGZNOGWZPYSPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14(18-13-15-7-5-6-10-17(15)22-18)20-19(21)11-12-23-16-8-3-2-4-9-16/h2-10,13-14H,11-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 9366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).