N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide

C18H22N2O4S — CID 110602661

IUPACN-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-24-17-7-3-6-15(13-17)18(21)19-12-4-5-14-8-10-16(11-9-14)20-25(2,22)23/h3,6-11,13,20H,4-5,12H2,1-2H3,(H,19,21)
InChIKeyJUIHKQMJSHLTRK-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.43
Rot. Bonds8

About N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide

N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide (PubChem CID 110602661) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
PubChem CID110602661
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-24-17-7-3-6-15(13-17)18(21)19-12-4-5-14-8-10-16(11-9-14)20-25(2,22)23/h3,6-11,13,20H,4-5,12H2,1-2H3,(H,19,21)
InChIKeyJUIHKQMJSHLTRK-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
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
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 55751801
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(3-benzylsulfonylpropyl)-3-methoxybenzamide
CID 86982137
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide (CID 110602661) is N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide?
The InChIKey is JUIHKQMJSHLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-24-17-7-3-6-15(13-17)18(21)19-12-4-5-14-8-10-16(11-9-14)20-25(2,22)23/h3,6-11,13,20H,4-5,12H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide?
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide is sourced from PubChem (CID 110602661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).