N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

C17H20N4O4S2 — CID 95786560

IUPACN-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESC[S@](=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N4O4S2/c1-26(23)15-6-4-14(5-7-15)19-17(22)20-9-11-21(12-10-20)27(24,25)16-3-2-8-18-13-16/h2-8,13H,9-12H2,1H3,(H,19,22)/t26-/m0/s1
InChIKeyIYKAQBSVSNQRPF-SANMLTNESA-N
MW408.51 g/mol
LogP1.36
Rot. Bonds4

About N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (PubChem CID 95786560) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
PubChem CID95786560
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
SMILESC[S@](=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N4O4S2/c1-26(23)15-6-4-14(5-7-15)19-17(22)20-9-11-21(12-10-20)27(24,25)16-3-2-8-18-13-16/h2-8,13H,9-12H2,1H3,(H,19,22)/t26-/m0/s1
InChIKeyIYKAQBSVSNQRPF-SANMLTNESA-N
XLogP1.36
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 43063725
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697525
N-[4-[(R)-methylsulfinyl]phenyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124734875
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 56586770
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(2-phenylsulfanylethyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 34704038
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606

Frequently Asked Questions

What is the IUPAC name of N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide (CID 95786560) is N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is C[S@](=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is IYKAQBSVSNQRPF-SANMLTNESA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-26(23)15-6-4-14(5-7-15)19-17(22)20-9-11-21(12-10-20)27(24,25)16-3-2-8-18-13-16/h2-8,13H,9-12H2,1H3,(H,19,22)/t26-/m0/s1.
What are the key properties of N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide?
N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 95786560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).