3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride

C17H30ClN3O3S2 — CID 120725028

IUPAC3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCNCC2C)s1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-12(2)10-16(21)19-9-6-14-4-5-17(24-14)25(22,23)20-15-7-8-18-11-13(15)3;/h4-5,12-13,15,18,20H,6-11H2,1-3H3,(H,19,21);1H
InChIKeyQJFQRKZUGLFPEU-UHFFFAOYSA-N
MW424.03 g/mol
LogP2.15
Rot. Bonds8

About 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride

3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride (PubChem CID 120725028) has the molecular formula C17H30ClN3O3S2 and a molecular weight of 424.03 g/mol. Its IUPAC name is 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
PubChem CID120725028
Molecular FormulaC17H30ClN3O3S2
Molecular Weight424.03 g/mol
Exact Mass423.14
IUPAC Name3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCNCC2C)s1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-12(2)10-16(21)19-9-6-14-4-5-17(24-14)25(22,23)20-15-7-8-18-11-13(15)3;/h4-5,12-13,15,18,20H,6-11H2,1-3H3,(H,19,21);1H
InChIKeyQJFQRKZUGLFPEU-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.03
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride with MolForge

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Related Compounds

3-methyl-N-[2-[5-[(2-methylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
CID 120726632
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride (CID 120725028) is 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride is CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCNCC2C)s1.Cl.
What is the InChIKey of 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride?
The InChIKey is QJFQRKZUGLFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S2.ClH/c1-12(2)10-16(21)19-9-6-14-4-5-17(24-14)25(22,23)20-15-7-8-18-11-13(15)3;/h4-5,12-13,15,18,20H,6-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride?
3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride has a molecular weight of 424.03 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120725028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).