N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H25N3O3S2 — CID 18150972

IUPACN-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H25N3O3S2/c23-19(20-11-5-14-22-12-2-1-3-13-22)16-7-9-17(10-8-16)21-27(24,25)18-6-4-15-26-18/h4,6-10,15,21H,1-3,5,11-14H2,(H,20,23)
InChIKeyQCDAAYHAUWWTCJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.15
Rot. Bonds8

About N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 18150972) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID18150972
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H25N3O3S2/c23-19(20-11-5-14-22-12-2-1-3-13-22)16-7-9-17(10-8-16)21-27(24,25)18-6-4-15-26-18/h4,6-10,15,21H,1-3,5,11-14H2,(H,20,23)
InChIKeyQCDAAYHAUWWTCJ-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 30944474
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
CID 71008233
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 18150972) is N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is QCDAAYHAUWWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c23-19(20-11-5-14-22-12-2-1-3-13-22)16-7-9-17(10-8-16)21-27(24,25)18-6-4-15-26-18/h4,6-10,15,21H,1-3,5,11-14H2,(H,20,23).
What are the key properties of N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 18150972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).