2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide

C15H20N2O2S — CID 146284300

IUPAC2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide
SMILESCCNC(=O)C1CCCc2cc(NC(=O)C3CC3)sc21
InChIInChI=1S/C15H20N2O2S/c1-2-16-15(19)11-5-3-4-10-8-12(20-13(10)11)17-14(18)9-6-7-9/h8-9,11H,2-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyCQEICDUXWHUVMF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.65
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide

2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide (PubChem CID 146284300) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide
PubChem CID146284300
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide
SMILESCCNC(=O)C1CCCc2cc(NC(=O)C3CC3)sc21
InChIInChI=1S/C15H20N2O2S/c1-2-16-15(19)11-5-3-4-10-8-12(20-13(10)11)17-14(18)9-6-7-9/h8-9,11H,2-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyCQEICDUXWHUVMF-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5,6,7-Tetrahydrobenzo(b)thien-2-yl)acetamide
CID 580749
2-(cyclopropanecarboxamido)-N-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 7474770
N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]cyclopropanecarboxamide
CID 25862640
7-Methyl-N-(3-methylbutyl)-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53165453
N-[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]butanamide
CID 19919497
2-Acetylamino-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 19919517
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
CID 146284517
(1R,2S)-2-fluoro-N-[(5S)-5-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropane-1-carboxamide
CID 156696247
tert-butyl N-[(5S)-2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]carbamate
CID 156696274
[(5S)-2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]azanium;2,2,2-trifluoroacetate
CID 156696384
N-[5-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 156696386
2,2-difluoro-N-[(5S)-5-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropane-1-carboxamide
CID 156696488

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide (CID 146284300) is 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide is CCNC(=O)C1CCCc2cc(NC(=O)C3CC3)sc21.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide?
The InChIKey is CQEICDUXWHUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-16-15(19)11-5-3-4-10-8-12(20-13(10)11)17-14(18)9-6-7-9/h8-9,11H,2-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide?
2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxamide is sourced from PubChem (CID 146284300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).