N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide

C15H16ClNOS2 — CID 46419430

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNOS2/c1-10(13-8-9-14(16)20-13)17-15(18)11(2)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeySVXYZJGRTYVGDP-UHFFFAOYSA-N
MW325.89 g/mol
LogP4.76
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide (PubChem CID 46419430) has the molecular formula C15H16ClNOS2 and a molecular weight of 325.89 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide
PubChem CID46419430
Molecular FormulaC15H16ClNOS2
Molecular Weight325.89 g/mol
Exact Mass325.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNOS2/c1-10(13-8-9-14(16)20-13)17-15(18)11(2)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeySVXYZJGRTYVGDP-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17181717
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide (CID 46419430) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide?
The InChIKey is SVXYZJGRTYVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS2/c1-10(13-8-9-14(16)20-13)17-15(18)11(2)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide has a molecular weight of 325.89 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 46419430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).