N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide

C21H21ClN2O2S2 — CID 44526136

IUPACN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C21H21ClN2O2S2/c22-18-12-16(23-21(25)20-2-1-10-28-20)3-4-19(18)26-17-5-8-24(9-6-17)13-15-7-11-27-14-15/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,23,25)
InChIKeyATLSZLQIJIDRIK-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.76
Rot. Bonds6

About N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide

N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 44526136) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID44526136
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC NameN-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C21H21ClN2O2S2/c22-18-12-16(23-21(25)20-2-1-10-28-20)3-4-19(18)26-17-5-8-24(9-6-17)13-15-7-11-27-14-15/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,23,25)
InChIKeyATLSZLQIJIDRIK-UHFFFAOYSA-N
XLogP5.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526135
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
CID 44526994
N-[3-chloro-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526540
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526579
N-[3-chloro-4-[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526554
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
CID 44526164
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide (CID 44526136) is N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is ATLSZLQIJIDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c22-18-12-16(23-21(25)20-2-1-10-28-20)3-4-19(18)26-17-5-8-24(9-6-17)13-15-7-11-27-14-15/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,23,25).
What are the key properties of N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide?
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 433.00 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 44526136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).