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

C13H18N2O4S2 — CID 63860807

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sccc1C#CCO)NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S2/c1-13(2,15-21(3,18)19)9-14-12(17)11-10(5-4-7-16)6-8-20-11/h6,8,15-16H,7,9H2,1-3H3,(H,14,17)
InChIKeyLAKOISKOTIAIOE-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.15
Rot. Bonds5

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

3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide (PubChem CID 63860807) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide
PubChem CID63860807
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sccc1C#CCO)NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S2/c1-13(2,15-21(3,18)19)9-14-12(17)11-10(5-4-7-16)6-8-20-11/h6,8,15-16H,7,9H2,1-3H3,(H,14,17)
InChIKeyLAKOISKOTIAIOE-UHFFFAOYSA-N
XLogP0.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106295344
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 65042711
N-[2-(dimethylamino)propyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796281
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methoxyethoxy)ethyl]thiophene-2-carboxamide
CID 63796096
3-(3-hydroxyprop-1-ynyl)-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 115521772
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 79395346
ethyl 4-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]butanoate
CID 64574712
3-(3-hydroxyprop-1-ynyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 63797845
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960346
3-(3-hydroxyprop-1-ynyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 63798846

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide (CID 63860807) is 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide is CC(C)(CNC(=O)c1sccc1C#CCO)NS(C)(=O)=O.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide?
The InChIKey is LAKOISKOTIAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-13(2,15-21(3,18)19)9-14-12(17)11-10(5-4-7-16)6-8-20-11/h6,8,15-16H,7,9H2,1-3H3,(H,14,17).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)-2-methylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 63860807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).