4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

C19H24N2O3S2 — CID 78801560

IUPAC4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C19H24N2O3S2/c1-4-13-20(15-17-8-7-14-25-17)19(22)16-9-11-18(12-10-16)26(23,24)21(5-2)6-3/h4,7-12,14H,1,5-6,13,15H2,2-3H3
InChIKeyHXCRURCOKVBVMN-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.61
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78801560) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78801560
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C19H24N2O3S2/c1-4-13-20(15-17-8-7-14-25-17)19(22)16-9-11-18(12-10-16)26(23,24)21(5-2)6-3/h4,7-12,14H,1,5-6,13,15H2,2-3H3
InChIKeyHXCRURCOKVBVMN-UHFFFAOYSA-N
XLogP3.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 24548150
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55372675
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
4-chloro-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801544
4-bromo-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801601
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (CID 78801560) is 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HXCRURCOKVBVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-4-13-20(15-17-8-7-14-25-17)19(22)16-9-11-18(12-10-16)26(23,24)21(5-2)6-3/h4,7-12,14H,1,5-6,13,15H2,2-3H3.
What are the key properties of 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78801560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).