N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide

C17H20N2O5S — CID 108571361

IUPACN-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O5S/c1-23-14-10-13(11-15(12-14)24-2)17(20)18-8-9-19-25(21,22)16-6-4-3-5-7-16/h3-7,10-12,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyFSBZSATUNNTTEM-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.41
Rot. Bonds8

About N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide

N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide (PubChem CID 108571361) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
PubChem CID108571361
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O5S/c1-23-14-10-13(11-15(12-14)24-2)17(20)18-8-9-19-25(21,22)16-6-4-3-5-7-16/h3-7,10-12,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyFSBZSATUNNTTEM-UHFFFAOYSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide
CID 3923334
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide (CID 108571361) is N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is FSBZSATUNNTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-14-10-13(11-15(12-14)24-2)17(20)18-8-9-19-25(21,22)16-6-4-3-5-7-16/h3-7,10-12,19H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide?
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108571361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).