3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C15H17NOS2 — CID 94215253

IUPAC3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2sccc2C2CC2)s1
InChIInChI=1S/C15H17NOS2/c1-9-3-6-13(19-9)10(2)16-15(17)14-12(7-8-18-14)11-4-5-11/h3,6-8,10-11H,4-5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeySSYKOQVAGGEOOJ-SNVBAGLBSA-N
MW291.44 g/mol
LogP4.49
Rot. Bonds4

About 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 94215253) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID94215253
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2sccc2C2CC2)s1
InChIInChI=1S/C15H17NOS2/c1-9-3-6-13(19-9)10(2)16-15(17)14-12(7-8-18-14)11-4-5-11/h3,6-8,10-11H,4-5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeySSYKOQVAGGEOOJ-SNVBAGLBSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 94817248
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 51092429
3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
CID 120828095
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 94215253) is 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2sccc2C2CC2)s1.
What is the InChIKey of 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SSYKOQVAGGEOOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-9-3-6-13(19-9)10(2)16-15(17)14-12(7-8-18-14)11-4-5-11/h3,6-8,10-11H,4-5H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 94215253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).