(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C25H30N4O4S — CID 26009926

IUPAC(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)C2)cc1
InChIInChI=1S/C25H30N4O4S/c1-27(16-21-15-26-28(18-21)17-20-7-4-3-5-8-20)25(30)22-9-6-14-29(19-22)34(31,32)24-12-10-23(33-2)11-13-24/h3-5,7-8,10-13,15,18,22H,6,9,14,16-17,19H2,1-2H3/t22-/m0/s1
InChIKeyPZAZAMOSRZRRBD-QFIPXVFZSA-N
MW482.61 g/mol
LogP3.00
Rot. Bonds8

About (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 26009926) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID26009926
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)C2)cc1
InChIInChI=1S/C25H30N4O4S/c1-27(16-21-15-26-28(18-21)17-20-7-4-3-5-8-20)25(30)22-9-6-14-29(19-22)34(31,32)24-12-10-23(33-2)11-13-24/h3-5,7-8,10-13,15,18,22H,6,9,14,16-17,19H2,1-2H3/t22-/m0/s1
InChIKeyPZAZAMOSRZRRBD-QFIPXVFZSA-N
XLogP3.00
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800732
N-(2-benzylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414402
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 26009926) is (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)C2)cc1.
What is the InChIKey of (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is PZAZAMOSRZRRBD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-27(16-21-15-26-28(18-21)17-20-7-4-3-5-8-20)25(30)22-9-6-14-29(19-22)34(31,32)24-12-10-23(33-2)11-13-24/h3-5,7-8,10-13,15,18,22H,6,9,14,16-17,19H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 26009926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).