4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide

C19H24N4O4S — CID 33433764

IUPAC4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-15(16-7-9-20-10-8-16)21-19(24)22-11-13-23(14-12-22)28(25,26)18-5-3-17(27-2)4-6-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeySCJBAOWSCRKOIR-OAHLLOKOSA-N
MW404.49 g/mol
LogP1.87
Rot. Bonds5

About 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide

4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide (PubChem CID 33433764) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
PubChem CID33433764
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-15(16-7-9-20-10-8-16)21-19(24)22-11-13-23(14-12-22)28(25,26)18-5-3-17(27-2)4-6-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeySCJBAOWSCRKOIR-OAHLLOKOSA-N
XLogP1.87
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate
CID 39333172
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 42934746
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide (CID 33433764) is 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccncc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The InChIKey is SCJBAOWSCRKOIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-15(16-7-9-20-10-8-16)21-19(24)22-11-13-23(14-12-22)28(25,26)18-5-3-17(27-2)4-6-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 33433764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).