2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide

C13H19NO2S — CID 124759588

IUPAC2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
SMILESC[C@H](O)c1ccc(CCNC(=O)CC2CC2)s1
InChIInChI=1S/C13H19NO2S/c1-9(15)12-5-4-11(17-12)6-7-14-13(16)8-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyGXPAVEGJCRDHHP-VIFPVBQESA-N
MW253.37 g/mol
LogP2.26
Rot. Bonds6

About 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide

2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 124759588) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
PubChem CID124759588
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide
SMILESC[C@H](O)c1ccc(CCNC(=O)CC2CC2)s1
InChIInChI=1S/C13H19NO2S/c1-9(15)12-5-4-11(17-12)6-7-14-13(16)8-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyGXPAVEGJCRDHHP-VIFPVBQESA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
CID 100723065
2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
CID 119771084
N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]furan-3-carboxamide
CID 91817579
1-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 100723881
2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43246450
2,5-dichloro-N-[2-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]ethyl]benzamide
CID 100722892
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
CID 94800140
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
2-cyclohexyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583448
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
CID 106047038

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide (CID 124759588) is 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide is C[C@H](O)c1ccc(CCNC(=O)CC2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is GXPAVEGJCRDHHP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(15)12-5-4-11(17-12)6-7-14-13(16)8-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide?
2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 124759588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).