N-(3-benzylsulfonylpropyl)-3-methoxybenzamide

C18H21NO4S — CID 86982137

IUPACN-(3-benzylsulfonylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-23-17-10-5-9-16(13-17)18(20)19-11-6-12-24(21,22)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20)
InChIKeySWRCCVYVAMIICZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.43
Rot. Bonds8

About N-(3-benzylsulfonylpropyl)-3-methoxybenzamide

N-(3-benzylsulfonylpropyl)-3-methoxybenzamide (PubChem CID 86982137) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-3-methoxybenzamide
PubChem CID86982137
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(3-benzylsulfonylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-23-17-10-5-9-16(13-17)18(20)19-11-6-12-24(21,22)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20)
InChIKeySWRCCVYVAMIICZ-UHFFFAOYSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide
CID 55842064
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
1-(3-benzylsulfonylpropyl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250382
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
3-[(3-phenoxybenzoyl)amino]propane-1-sulfonic acid
CID 18948300
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-3-methoxybenzamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-3-methoxybenzamide (CID 86982137) is N-(3-benzylsulfonylpropyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-3-methoxybenzamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-3-methoxybenzamide is COc1cccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-3-methoxybenzamide?
The InChIKey is SWRCCVYVAMIICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-17-10-5-9-16(13-17)18(20)19-11-6-12-24(21,22)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20).
What are the key properties of N-(3-benzylsulfonylpropyl)-3-methoxybenzamide?
N-(3-benzylsulfonylpropyl)-3-methoxybenzamide has a molecular weight of 347.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 86982137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).