N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide

C16H17FN2O2S — CID 18113918

IUPACN-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C16H17FN2O2S/c1-19(10-12-3-2-4-14(17)9-12)15(20)5-7-18-16(21)13-6-8-22-11-13/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,21)
InChIKeyYWVXDVLRAIHWJC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.67
Rot. Bonds6

About N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18113918) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18113918
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C16H17FN2O2S/c1-19(10-12-3-2-4-14(17)9-12)15(20)5-7-18-16(21)13-6-8-22-11-13/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,21)
InChIKeyYWVXDVLRAIHWJC-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-[4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 78803151
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835
N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511249
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511381
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 18113918) is N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is YWVXDVLRAIHWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-19(10-12-3-2-4-14(17)9-12)15(20)5-7-18-16(21)13-6-8-22-11-13/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,21).
What are the key properties of N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18113918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).