N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C23H24N4O2S2 — CID 24731439

IUPACN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1cccc(CN2CCC(N(Cc3cccnc3)S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C23H24N4O2S2/c24-15-19-4-1-5-20(14-19)17-26-11-8-22(9-12-26)27(18-21-6-2-10-25-16-21)31(28,29)23-7-3-13-30-23/h1-7,10,13-14,16,22H,8-9,11-12,17-18H2
InChIKeyCQQKKBFUPGWMEC-UHFFFAOYSA-N
MW452.61 g/mol
LogP3.87
Rot. Bonds7

About N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 24731439) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID24731439
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESN#Cc1cccc(CN2CCC(N(Cc3cccnc3)S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C23H24N4O2S2/c24-15-19-4-1-5-20(14-19)17-26-11-8-22(9-12-26)27(18-21-6-2-10-25-16-21)31(28,29)23-7-3-13-30-23/h1-7,10,13-14,16,22H,8-9,11-12,17-18H2
InChIKeyCQQKKBFUPGWMEC-UHFFFAOYSA-N
XLogP3.87
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 97487706
3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 2819655
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 23886714
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 18177053
2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
CID 82163939
N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 26333291
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
CID 17457424
3-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 51104304
2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
CID 154740383

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 24731439) is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is N#Cc1cccc(CN2CCC(N(Cc3cccnc3)S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is CQQKKBFUPGWMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c24-15-19-4-1-5-20(14-19)17-26-11-8-22(9-12-26)27(18-21-6-2-10-25-16-21)31(28,29)23-7-3-13-30-23/h1-7,10,13-14,16,22H,8-9,11-12,17-18H2.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 452.61 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 24731439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).