5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C17H16F2N2O3S — CID 17471955

IUPAC5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)24-12-4-2-1-3-11(12)9-20-16(23)13-7-8-14(25-13)21-15(22)10-5-6-10/h1-4,7-8,10,17H,5-6,9H2,(H,20,23)(H,21,22)
InChIKeyXVPQSEJOJHSQCK-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.63
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 17471955) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID17471955
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)24-12-4-2-1-3-11(12)9-20-16(23)13-7-8-14(25-13)21-15(22)10-5-6-10/h1-4,7-8,10,17H,5-6,9H2,(H,20,23)(H,21,22)
InChIKeyXVPQSEJOJHSQCK-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 78834052
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
N-[(3-bromo-4-methoxyphenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86878356
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
5-[[2-(difluoromethoxy)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474824
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 17471955) is 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is XVPQSEJOJHSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-17(19)24-12-4-2-1-3-11(12)9-20-16(23)13-7-8-14(25-13)21-15(22)10-5-6-10/h1-4,7-8,10,17H,5-6,9H2,(H,20,23)(H,21,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[[2-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 17471955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).