N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide

C18H16FN3O3S2 — CID 167811718

IUPACN-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)NC(=O)c2ccsc2)cn1
InChIInChI=1S/C18H16FN3O3S2/c1-22(11-13-2-4-15(19)5-3-13)17-7-6-16(10-20-17)27(24,25)21-18(23)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyLKVKROOXVKMPPX-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.04
Rot. Bonds6

About N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide

N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide (PubChem CID 167811718) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
PubChem CID167811718
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)NC(=O)c2ccsc2)cn1
InChIInChI=1S/C18H16FN3O3S2/c1-22(11-13-2-4-15(19)5-3-13)17-7-6-16(10-20-17)27(24,25)21-18(23)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyLKVKROOXVKMPPX-UHFFFAOYSA-N
XLogP3.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-methyl-4-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxamide
CID 6503958
2-[(5-Methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127785
4-Diethylsulfamoyl-thiophene-2-carboxylic acid pyridin-2-ylamide
CID 648487
N-((3-Methylpyridin-2-yl)carbamothioyl)thiophene-2-carboxamide
CID 694350
N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449379
N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 6504028
N-[[5-(6-amino-3-pyridinyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665048
(1,1-Dioxothian-4-yl)-[2-(5-methylthiophen-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 118013392
N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293524
N-benzyl-N-(pyridin-2-yl)thiophene-2-carboxamide
CID 668939

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The IUPAC name of N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide (CID 167811718) is N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide is CN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)NC(=O)c2ccsc2)cn1.
What is the InChIKey of N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
The InChIKey is LKVKROOXVKMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-22(11-13-2-4-15(19)5-3-13)17-7-6-16(10-20-17)27(24,25)21-18(23)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide?
N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide is sourced from PubChem (CID 167811718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).