5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide

C20H26N2O5S — CID 18109821

IUPAC5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H26N2O5S/c1-21(15-16-8-7-13-27-16)20(23)18-14-17(9-10-19(18)26-2)28(24,25)22-11-5-3-4-6-12-22/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyRXGLNGXATXZHLM-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.13
Rot. Bonds6

About 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide

5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide (PubChem CID 18109821) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
PubChem CID18109821
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H26N2O5S/c1-21(15-16-8-7-13-27-16)20(23)18-14-17(9-10-19(18)26-2)28(24,25)22-11-5-3-4-6-12-22/h7-10,13-14H,3-6,11-12,15H2,1-2H3
InChIKeyRXGLNGXATXZHLM-UHFFFAOYSA-N
XLogP3.13
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 134005830
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
5-(azepan-1-ylsulfonyl)-N-ethyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 55382547
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
2-bromo-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55897331
5-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methoxybenzamide
CID 112817196

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide (CID 18109821) is 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccco1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide?
The InChIKey is RXGLNGXATXZHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-21(15-16-8-7-13-27-16)20(23)18-14-17(9-10-19(18)26-2)28(24,25)22-11-5-3-4-6-12-22/h7-10,13-14H,3-6,11-12,15H2,1-2H3.
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide?
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 18109821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).