1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide

C27H30N2O5S — CID 2979703

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1C
InChIInChI=1S/C27H30N2O5S/c1-20-17-25(14-15-26(20)33-2)35(31,32)29-16-6-9-22(18-29)27(30)28-23-10-12-24(13-11-23)34-19-21-7-4-3-5-8-21/h3-5,7-8,10-15,17,22H,6,9,16,18-19H2,1-2H3,(H,28,30)
InChIKeyCJWRBHWNLBNVQT-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.62
Rot. Bonds8

About 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide (PubChem CID 2979703) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
PubChem CID2979703
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1C
InChIInChI=1S/C27H30N2O5S/c1-20-17-25(14-15-26(20)33-2)35(31,32)29-16-6-9-22(18-29)27(30)28-23-10-12-24(13-11-23)34-19-21-7-4-3-5-8-21/h3-5,7-8,10-15,17,22H,6,9,16,18-19H2,1-2H3,(H,28,30)
InChIKeyCJWRBHWNLBNVQT-UHFFFAOYSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
ethyl 2-[4-[[1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]phenyl]acetate
CID 133159617
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302602
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
2-methoxy-N-(4-phenylmethoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590899
(3S)-N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302430
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022
(3R)-N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2238304
(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559
(3S)-N,N-dibenzyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41301972
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide (CID 2979703) is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is CJWRBHWNLBNVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-20-17-25(14-15-26(20)33-2)35(31,32)29-16-6-9-22(18-29)27(30)28-23-10-12-24(13-11-23)34-19-21-7-4-3-5-8-21/h3-5,7-8,10-15,17,22H,6,9,16,18-19H2,1-2H3,(H,28,30).
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide?
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2979703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).