(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C18H25N3O3S2 — CID 9434153

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 9434153) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
• PubChem CID: 9434153
• Molecular Formula: C18H25N3O3S2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.13
• IUPAC Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
• SMILES: Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
• InChI: InChI=1S/C18H25N3O3S2/c1-13-9-10-25-17(13)12-21(5)14(2)18(22)19-15-7-6-8-16(11-15)26(23,24)20(3)4/h6-11,14H,12H2,1-5H3,(H,19,22)/t14-/m0/s1
• InChIKey: MDYCJOJGNZDHSP-AWEZNQCLSA-N
• XLogP: 2.77
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 9434153) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.

What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

The InChIKey is MDYCJOJGNZDHSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-13-9-10-25-17(13)12-21(5)14(2)18(22)19-15-7-6-8-16(11-15)26(23,24)20(3)4/h6-11,14H,12H2,1-5H3,(H,19,22)/t14-/m0/s1.

What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 395.55 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9434153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).