N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C22H20ClN3O3S — CID 112800496

IUPACN-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H20ClN3O3S/c23-18-7-6-15(13-19(18)24-21(28)20-5-2-12-30-20)22(29)26-10-8-25(9-11-26)16-3-1-4-17(27)14-16/h1-7,12-14,27H,8-11H2,(H,24,28)
InChIKeyYKOVRDHTFYBTGN-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.32
Rot. Bonds4

About N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 112800496) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID112800496
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H20ClN3O3S/c23-18-7-6-15(13-19(18)24-21(28)20-5-2-12-30-20)22(29)26-10-8-25(9-11-26)16-3-1-4-17(27)14-16/h1-7,12-14,27H,8-11H2,(H,24,28)
InChIKeyYKOVRDHTFYBTGN-UHFFFAOYSA-N
XLogP4.32
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916
N-[2-chloro-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119650923

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 112800496) is N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is YKOVRDHTFYBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-18-7-6-15(13-19(18)24-21(28)20-5-2-12-30-20)22(29)26-10-8-25(9-11-26)16-3-1-4-17(27)14-16/h1-7,12-14,27H,8-11H2,(H,24,28).
What are the key properties of N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112800496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).