2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride

C17H28ClN3O3S2 — CID 120721876

IUPAC2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2=CCNCC2)s1.Cl
InChIInChI=1S/C17H27N3O3S2.ClH/c1-17(2,3)16(21)19-11-8-14-4-5-15(24-14)25(22,23)20-12-13-6-9-18-10-7-13;/h4-6,18,20H,7-12H2,1-3H3,(H,19,21);1H
InChIKeyPRPKLKIISVUDJA-UHFFFAOYSA-N
MW422.02 g/mol
LogP2.07
Rot. Bonds7

About 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride

2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride (PubChem CID 120721876) has the molecular formula C17H28ClN3O3S2 and a molecular weight of 422.02 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride
PubChem CID120721876
Molecular FormulaC17H28ClN3O3S2
Molecular Weight422.02 g/mol
Exact Mass421.13
IUPAC Name2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2=CCNCC2)s1.Cl
InChIInChI=1S/C17H27N3O3S2.ClH/c1-17(2,3)16(21)19-11-8-14-4-5-15(24-14)25(22,23)20-12-13-6-9-18-10-7-13;/h4-6,18,20H,7-12H2,1-3H3,(H,19,21);1H
InChIKeyPRPKLKIISVUDJA-UHFFFAOYSA-N
XLogP2.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.02
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 120583485
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2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 166195906
2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
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methyl 3-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 114694295
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CID 138997961
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide
CID 139012998
2-chloro-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
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1,1,1-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride (CID 120721876) is 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC2=CCNCC2)s1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The InChIKey is PRPKLKIISVUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2.ClH/c1-17(2,3)16(21)19-11-8-14-4-5-15(24-14)25(22,23)20-12-13-6-9-18-10-7-13;/h4-6,18,20H,7-12H2,1-3H3,(H,19,21);1H.
What are the key properties of 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride has a molecular weight of 422.02 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120721876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).