N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide

C9H9ClF3NOS — CID 51938201

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF3NOS/c1-5(6-2-3-7(10)16-6)14-8(15)4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyHXSCKKBFPWRRPD-YFKPBYRVSA-N
MW271.69 g/mol
LogP3.53
Rot. Bonds3

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide (PubChem CID 51938201) has the molecular formula C9H9ClF3NOS and a molecular weight of 271.69 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
PubChem CID51938201
Molecular FormulaC9H9ClF3NOS
Molecular Weight271.69 g/mol
Exact Mass271.00
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF3NOS/c1-5(6-2-3-7(10)16-6)14-8(15)4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyHXSCKKBFPWRRPD-YFKPBYRVSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45812869
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 45814262
3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
CID 51077583
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
CID 51077584
5-chloro-N-ethylthiophene-2-carboxamide
CID 667834
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyano-3,3-dimethylbutanamide
CID 14820988
3-[(5-Chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 27073639
(2S)-2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 36350564
2-(2-aminoethylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 43249627
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
CID 43705072

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide (CID 51938201) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide is C[C@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is HXSCKKBFPWRRPD-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9ClF3NOS/c1-5(6-2-3-7(10)16-6)14-8(15)4-9(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)/t5-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 271.69 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 51938201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).