N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C19H20F2N2O4S — CID 18169203

IUPACN-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)CNC(=O)c2cccs2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C19H20F2N2O4S/c1-26-15-9-12(4-7-14(15)27-19(20)21)11-23(13-5-6-13)17(24)10-22-18(25)16-3-2-8-28-16/h2-4,7-9,13,19H,5-6,10-11H2,1H3,(H,22,25)
InChIKeyMOVIGVYFRMHDFD-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.28
Rot. Bonds9

About N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18169203) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18169203
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC NameN-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)CNC(=O)c2cccs2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C19H20F2N2O4S/c1-26-15-9-12(4-7-14(15)27-19(20)21)11-23(13-5-6-13)17(24)10-22-18(25)16-3-2-8-28-16/h2-4,7-9,13,19H,5-6,10-11H2,1H3,(H,22,25)
InChIKeyMOVIGVYFRMHDFD-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18169198
N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 167793048
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 33080763
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 43577077
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199439
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
CID 24504404

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18169203) is N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide is COc1cc(CN(C(=O)CNC(=O)c2cccs2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MOVIGVYFRMHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-26-15-9-12(4-7-14(15)27-19(20)21)11-23(13-5-6-13)17(24)10-22-18(25)16-3-2-8-28-16/h2-4,7-9,13,19H,5-6,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18169203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).