N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide

C18H25N3O3S2 — CID 18532502

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)NC(C)c1cccs1
InChIInChI=1S/C18H25N3O3S2/c1-12-8-9-15(26(23,24)21(4)5)11-16(12)20-18(22)14(3)19-13(2)17-7-6-10-25-17/h6-11,13-14,19H,1-5H3,(H,20,22)
InChIKeyRFLRKIXUFQECRF-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.98
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide (PubChem CID 18532502) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide
PubChem CID18532502
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)NC(C)c1cccs1
InChIInChI=1S/C18H25N3O3S2/c1-12-8-9-15(26(23,24)21(4)5)11-16(12)20-18(22)14(3)19-13(2)17-7-6-10-25-17/h6-11,13-14,19H,1-5H3,(H,20,22)
InChIKeyRFLRKIXUFQECRF-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide (CID 18532502) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)NC(C)c1cccs1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide?
The InChIKey is RFLRKIXUFQECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-12-8-9-15(26(23,24)21(4)5)11-16(12)20-18(22)14(3)19-13(2)17-7-6-10-25-17/h6-11,13-14,19H,1-5H3,(H,20,22).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide has a molecular weight of 395.55 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 18532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).