N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide

C19H26N4O3S2 — CID 31289611

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCCCCCc1nnc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C19H26N4O3S2/c1-2-3-5-12-17-21-22-19(27-17)20-18(24)15-10-6-7-11-16(15)28(25,26)23-13-8-4-9-14-23/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,20,22,24)
InChIKeySVVXHLORYSBOLP-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.70
Rot. Bonds8

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 31289611) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID31289611
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCCCCCc1nnc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C19H26N4O3S2/c1-2-3-5-12-17-21-22-19(27-17)20-18(24)15-10-6-7-11-16(15)28(25,26)23-13-8-4-9-14-23/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,20,22,24)
InChIKeySVVXHLORYSBOLP-UHFFFAOYSA-N
XLogP3.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26197093
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide (CID 31289611) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide is CCCCCc1nnc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SVVXHLORYSBOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-2-3-5-12-17-21-22-19(27-17)20-18(24)15-10-6-7-11-16(15)28(25,26)23-13-8-4-9-14-23/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,20,22,24).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.58 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31289611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).