N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide

C18H25N3O3S2 — CID 16932779

IUPACN-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)c(C)c1
InChIInChI=1S/C18H25N3O3S2/c1-5-18(22)20-15-6-7-17(13(2)10-15)26(23,24)19-11-16(21(3)4)14-8-9-25-12-14/h6-10,12,16,19H,5,11H2,1-4H3,(H,20,22)
InChIKeyLOQAZVKYWLGPFZ-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.99
Rot. Bonds8

About N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide

N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide (PubChem CID 16932779) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
PubChem CID16932779
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)c(C)c1
InChIInChI=1S/C18H25N3O3S2/c1-5-18(22)20-15-6-7-17(13(2)10-15)26(23,24)19-11-16(21(3)4)14-8-9-25-12-14/h6-10,12,16,19H,5,11H2,1-4H3,(H,20,22)
InChIKeyLOQAZVKYWLGPFZ-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide (CID 16932779) is N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)c(C)c1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is LOQAZVKYWLGPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-5-18(22)20-15-6-7-17(13(2)10-15)26(23,24)19-11-16(21(3)4)14-8-9-25-12-14/h6-10,12,16,19H,5,11H2,1-4H3,(H,20,22).
What are the key properties of N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 16932779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).