N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide

C14H16ClNOS2 — CID 51726837

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCCc1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS2/c1-10(12-7-8-13(15)19-12)16-14(17)6-2-4-11-5-3-9-18-11/h3,5,7-10H,2,4,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXCRCMWXBNLMFMZ-JTQLQIEISA-N
MW313.88 g/mol
LogP4.66
Rot. Bonds6

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 51726837) has the molecular formula C14H16ClNOS2 and a molecular weight of 313.88 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID51726837
Molecular FormulaC14H16ClNOS2
Molecular Weight313.88 g/mol
Exact Mass313.04
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESC[C@H](NC(=O)CCCc1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS2/c1-10(12-7-8-13(15)19-12)16-14(17)6-2-4-11-5-3-9-18-11/h3,5,7-10H,2,4,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyXCRCMWXBNLMFMZ-JTQLQIEISA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 112764256
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
CID 105119774
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide (CID 51726837) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide is C[C@H](NC(=O)CCCc1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is XCRCMWXBNLMFMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16ClNOS2/c1-10(12-7-8-13(15)19-12)16-14(17)6-2-4-11-5-3-9-18-11/h3,5,7-10H,2,4,6H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 313.88 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51726837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).