N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide

C20H26N2O4S — CID 55751801

IUPACN-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCCCCOc1ccc(CCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-14-26-19-10-8-16(9-11-19)12-13-21-20(23)17-6-5-7-18(15-17)22-27(2,24)25/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23)
InChIKeyYFFCYWQHXGDLRF-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.21
Rot. Bonds10

About N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide

N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide (PubChem CID 55751801) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
PubChem CID55751801
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
SMILESCCCCOc1ccc(CCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-14-26-19-10-8-16(9-11-19)12-13-21-20(23)17-6-5-7-18(15-17)22-27(2,24)25/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23)
InChIKeyYFFCYWQHXGDLRF-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.21
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

N-[3-[3-[(dibutylamino)methyl]phenoxy]propyl]-3-(methanesulfonamido)benzamide
CID 70514062
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide (CID 55751801) is N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide is CCCCOc1ccc(CCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is YFFCYWQHXGDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-14-26-19-10-8-16(9-11-19)12-13-21-20(23)17-6-5-7-18(15-17)22-27(2,24)25/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide?
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55751801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).