N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide

C16H18N2O3S — CID 110698081

IUPACN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-11(2)21-13-7-4-3-6-12(13)18-15(19)10-17-16(20)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFPBCFMQKIMIUCG-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.90
Rot. Bonds6

About N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide (PubChem CID 110698081) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
PubChem CID110698081
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H18N2O3S/c1-11(2)21-13-7-4-3-6-12(13)18-15(19)10-17-16(20)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFPBCFMQKIMIUCG-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112998996
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide (CID 110698081) is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide is CC(C)Oc1ccccc1NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is FPBCFMQKIMIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(2)21-13-7-4-3-6-12(13)18-15(19)10-17-16(20)14-8-5-9-22-14/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110698081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).