5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide

C12H16N2O4S2 — CID 106342057

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C12H16N2O4S2/c1-20(17,18)14-8-3-7-13-12(16)11-6-5-10(19-11)4-2-9-15/h5-6,14-15H,3,7-9H2,1H3,(H,13,16)
InChIKeyFZKFWVBHEBDPTI-UHFFFAOYSA-N
MW316.40 g/mol
LogP-0.24
Rot. Bonds6

About 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide (PubChem CID 106342057) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
PubChem CID106342057
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C12H16N2O4S2/c1-20(17,18)14-8-3-7-13-12(16)11-6-5-10(19-11)4-2-9-15/h5-6,14-15H,3,7-9H2,1H3,(H,13,16)
InChIKeyFZKFWVBHEBDPTI-UHFFFAOYSA-N
XLogP-0.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide 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,N'-bis(2-methoxyethyl)-2,5-thiophenedicarboxamide
CID 2225831
4-(dimethylsulfamoyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 6502707
N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502723
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
3-[[5-(Ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]propanoic acid
CID 6502965
5-methyl-N-(1-propylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 40162777
N-(3-methylsulfonylpropyl)thiophene-2-carboxamide
CID 60858560
N-[(E)-3-methylsulfonylprop-2-enyl]thiophene-2-carboxamide
CID 177665877
4-[(diethylamino)sulfonyl]-N-(2-hydroxy-1,1-dimethylethyl)-2-thiophenecarboxamide
CID 27262216
N-[3-[methyl(methylsulfonyl)amino]propyl]thiophene-2-carboxamide
CID 40152279
N-[3-(methanesulfonamido)propyl]-5-methylthiophene-2-carboxamide
CID 45808416
N-{2-[(dimethylamino)sulfonyl]ethyl}-5-ethylthiophene-3-carboxamide
CID 56758161

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide (CID 106342057) is 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide is CS(=O)(=O)NCCCNC(=O)c1ccc(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide?
The InChIKey is FZKFWVBHEBDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-20(17,18)14-8-3-7-13-12(16)11-6-5-10(19-11)4-2-9-15/h5-6,14-15H,3,7-9H2,1H3,(H,13,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 106342057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).