3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide

C23H30N2O5S — CID 55381469

IUPAC3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(C)C
InChIInChI=1S/C23H30N2O5S/c1-17(2)30-21-12-9-19(15-22(21)29-3)23(26)24-16-18-7-10-20(11-8-18)31(27,28)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,24,26)
InChIKeyVKXQCROMFOZNMJ-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.59
Rot. Bonds8

About 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 55381469) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
PubChem CID55381469
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(C)C
InChIInChI=1S/C23H30N2O5S/c1-17(2)30-21-12-9-19(15-22(21)29-3)23(26)24-16-18-7-10-20(11-8-18)31(27,28)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,24,26)
InChIKeyVKXQCROMFOZNMJ-UHFFFAOYSA-N
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100675418
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 56552055
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248888

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide (CID 55381469) is 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is VKXQCROMFOZNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17(2)30-21-12-9-19(15-22(21)29-3)23(26)24-16-18-7-10-20(11-8-18)31(27,28)25-13-5-4-6-14-25/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 446.57 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55381469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).