N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C22H20ClN3O2S — CID 2432113

IUPACN-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H20ClN3O2S/c23-18-9-8-16(15-19(18)24-21(27)20-7-4-14-29-20)22(28)26-12-10-25(11-13-26)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyRVBYLTZKBMEZJH-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.62
Rot. Bonds4

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

N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 2432113) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID2432113
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H20ClN3O2S/c23-18-9-8-16(15-19(18)24-21(27)20-7-4-14-29-20)22(28)26-12-10-25(11-13-26)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyRVBYLTZKBMEZJH-UHFFFAOYSA-N
XLogP4.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(4-acetylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376659
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376888
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 10276451
(2-Amino-4-((4-phenylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068663
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzothiophene-3-carboxamide
CID 54585306
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 71454487
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155521711
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155547873
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 2432113) is N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RVBYLTZKBMEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-18-9-8-16(15-19(18)24-21(27)20-7-4-14-29-20)22(28)26-12-10-25(11-13-26)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2,(H,24,27).
What are the key properties of N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-phenylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2432113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).