N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C19H18FN3O3S2 — CID 55666005

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccc(F)cc1)c1cccs1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H18FN3O3S2/c1-23(28(25,26)16-4-2-10-21-12-16)13-18(24)22-19(17-5-3-11-27-17)14-6-8-15(20)9-7-14/h2-12,19H,13H2,1H3,(H,22,24)
InChIKeyROKBNZWUDGWBHO-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.81
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55666005) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55666005
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccc(F)cc1)c1cccs1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H18FN3O3S2/c1-23(28(25,26)16-4-2-10-21-12-16)13-18(24)22-19(17-5-3-11-27-17)14-6-8-15(20)9-7-14/h2-12,19H,13H2,1H3,(H,22,24)
InChIKeyROKBNZWUDGWBHO-UHFFFAOYSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46579996
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24683564
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55666005) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(CC(=O)NC(c1ccc(F)cc1)c1cccs1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is ROKBNZWUDGWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-23(28(25,26)16-4-2-10-21-12-16)13-18(24)22-19(17-5-3-11-27-17)14-6-8-15(20)9-7-14/h2-12,19H,13H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 419.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55666005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).