N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C22H24N2O4S2 — CID 38579697

IUPACN-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C22H24N2O4S2/c1-24(13-7-14-28-19-9-3-2-4-10-19)22(25)18-8-5-12-21(16-18)30(26,27)23-17-20-11-6-15-29-20/h2-6,8-12,15-16,23H,7,13-14,17H2,1H3
InChIKeyLSUGKYUPJNSBTE-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.77
Rot. Bonds10

About N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 38579697) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID38579697
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC NameN-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C22H24N2O4S2/c1-24(13-7-14-28-19-9-3-2-4-10-19)22(25)18-8-5-12-21(16-18)30(26,27)23-17-20-11-6-15-29-20/h2-6,8-12,15-16,23H,7,13-14,17H2,1H3
InChIKeyLSUGKYUPJNSBTE-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 134056756
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31327536
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 38579697) is N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CN(CCCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is LSUGKYUPJNSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-24(13-7-14-28-19-9-3-2-4-10-19)22(25)18-8-5-12-21(16-18)30(26,27)23-17-20-11-6-15-29-20/h2-6,8-12,15-16,23H,7,13-14,17H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 38579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).