N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide

C20H22N2O5S — CID 55580165

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H22N2O5S/c1-5-12-21-28(24,25)17-9-6-15(7-10-17)20(23)22-14(2)18-11-8-16(26-3)13-19(18)27-4/h1,6-11,13-14,21H,12H2,2-4H3,(H,22,23)
InChIKeyMEMRHXRXRTXYJV-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.11
Rot. Bonds8

About N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55580165) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55580165
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H22N2O5S/c1-5-12-21-28(24,25)17-9-6-15(7-10-17)20(23)22-14(2)18-11-8-16(26-3)13-19(18)27-4/h1,6-11,13-14,21H,12H2,2-4H3,(H,22,23)
InChIKeyMEMRHXRXRTXYJV-UHFFFAOYSA-N
XLogP2.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55580765
4-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 33316587
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 55580165) is N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is MEMRHXRXRTXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-5-12-21-28(24,25)17-9-6-15(7-10-17)20(23)22-14(2)18-11-8-16(26-3)13-19(18)27-4/h1,6-11,13-14,21H,12H2,2-4H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 402.47 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55580165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).