1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide

C20H29N3O5S — CID 28591148

IUPAC1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H29N3O5S/c1-28-18-7-6-16(29(26,27)23-10-4-2-3-5-11-23)14-17(18)20(25)22-12-8-15(9-13-22)19(21)24/h6-7,14-15H,2-5,8-13H2,1H3,(H2,21,24)
InChIKeyCCXWYWDVNCCETH-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.60
Rot. Bonds5

About 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide

1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide (PubChem CID 28591148) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
PubChem CID28591148
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H29N3O5S/c1-28-18-7-6-16(29(26,27)23-10-4-2-3-5-11-23)14-17(18)20(25)22-12-8-15(9-13-22)19(21)24/h6-7,14-15H,2-5,8-13H2,1H3,(H2,21,24)
InChIKeyCCXWYWDVNCCETH-UHFFFAOYSA-N
XLogP1.60
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56544019
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436399
4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 28569021
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55385243
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
CID 126397233
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide (CID 28591148) is 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The InChIKey is CCXWYWDVNCCETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-28-18-7-6-16(29(26,27)23-10-4-2-3-5-11-23)14-17(18)20(25)22-12-8-15(9-13-22)19(21)24/h6-7,14-15H,2-5,8-13H2,1H3,(H2,21,24).
What are the key properties of 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 28591148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).