N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

C22H24N4O4S2 — CID 53074737

IUPACN-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c23-14-16-3-5-19(6-4-16)24-21(27)17-7-11-26(12-8-17)32(29,30)20-13-18(15-31-20)22(28)25-9-1-2-10-25/h3-6,13,15,17H,1-2,7-12H2,(H,24,27)
InChIKeyJHMHLGWVVVEVOB-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.90
Rot. Bonds5

About N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53074737) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53074737
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC NameN-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c23-14-16-3-5-19(6-4-16)24-21(27)17-7-11-26(12-8-17)32(29,30)20-13-18(15-31-20)22(28)25-9-1-2-10-25/h3-6,13,15,17H,1-2,7-12H2,(H,24,27)
InChIKeyJHMHLGWVVVEVOB-UHFFFAOYSA-N
XLogP2.90
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
N-(3-chloro-4-fluorophenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028354
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
N-(1,3-benzodioxol-5-yl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074777
N-(5-chloro-2-pyridinyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028314
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 53074795
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 113008844
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 53074737) is N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)cs3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is JHMHLGWVVVEVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c23-14-16-3-5-19(6-4-16)24-21(27)17-7-11-26(12-8-17)32(29,30)20-13-18(15-31-20)22(28)25-9-1-2-10-25/h3-6,13,15,17H,1-2,7-12H2,(H,24,27).
What are the key properties of N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53074737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).