N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide

C17H28N4O4S2 — CID 45165144

IUPACN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide
SMILESCSCC(C)Nc1cc(C(=O)NCCNC(C)=O)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H28N4O4S2/c1-12(11-26-5)20-15-8-14(17(23)19-7-6-18-13(2)22)9-16(10-15)27(24,25)21(3)4/h8-10,12,20H,6-7,11H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyMURABSALMKREHW-UHFFFAOYSA-N
MW416.57 g/mol
LogP0.97
Rot. Bonds10

About N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide

N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide (PubChem CID 45165144) has the molecular formula C17H28N4O4S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide
PubChem CID45165144
Molecular FormulaC17H28N4O4S2
Molecular Weight416.57 g/mol
Exact Mass416.16
IUPAC NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide
SMILESCSCC(C)Nc1cc(C(=O)NCCNC(C)=O)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H28N4O4S2/c1-12(11-26-5)20-15-8-14(17(23)19-7-6-18-13(2)22)9-16(10-15)27(24,25)21(3)4/h8-10,12,20H,6-7,11H2,1-5H3,(H,18,22)(H,19,23)
InChIKeyMURABSALMKREHW-UHFFFAOYSA-N
XLogP0.97
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)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-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
CID 26223660
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227326
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 2082690
3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide
CID 72885370
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 115677186
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide (CID 45165144) is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide is CSCC(C)Nc1cc(C(=O)NCCNC(C)=O)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide?
The InChIKey is MURABSALMKREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S2/c1-12(11-26-5)20-15-8-14(17(23)19-7-6-18-13(2)22)9-16(10-15)27(24,25)21(3)4/h8-10,12,20H,6-7,11H2,1-5H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide?
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide has a molecular weight of 416.57 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide is sourced from PubChem (CID 45165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).