(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

C13H18ClNO2S — CID 94800140

IUPAC(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-9(17-8-10-2-3-10)13(16)15-7-6-11-4-5-12(14)18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyGKZKYKIUAXTABJ-VIFPVBQESA-N
MW287.81 g/mol
LogP2.88
Rot. Bonds7

About (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide (PubChem CID 94800140) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
PubChem CID94800140
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO2S/c1-9(17-8-10-2-3-10)13(16)15-7-6-11-4-5-12(14)18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyGKZKYKIUAXTABJ-VIFPVBQESA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-ethoxyethoxy)propanamide
CID 51089322
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 87002686
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111870022
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
CID 124759588

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide (CID 94800140) is (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide is C[C@H](OCC1CC1)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide?
The InChIKey is GKZKYKIUAXTABJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9(17-8-10-2-3-10)13(16)15-7-6-11-4-5-12(14)18-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide?
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide has a molecular weight of 287.81 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 94800140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).