N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide

C16H16F2N2O3S — CID 18143916

IUPACN-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O3S/c17-16(18)23-13-4-2-1-3-11(13)9-20-14(21)5-7-19-15(22)12-6-8-24-10-12/h1-4,6,8,10,16H,5,7,9H2,(H,19,22)(H,20,21)
InChIKeyIOLIXCPFHYIVCU-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.79
Rot. Bonds8

About N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18143916) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18143916
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O3S/c17-16(18)23-13-4-2-1-3-11(13)9-20-14(21)5-7-19-15(22)12-6-8-24-10-12/h1-4,6,8,10,16H,5,7,9H2,(H,19,22)(H,20,21)
InChIKeyIOLIXCPFHYIVCU-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 43017283
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 46816863
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 86821772
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 18143916) is N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is IOLIXCPFHYIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c17-16(18)23-13-4-2-1-3-11(13)9-20-14(21)5-7-19-15(22)12-6-8-24-10-12/h1-4,6,8,10,16H,5,7,9H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18143916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).