N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C17H21N5O3S — CID 7456050

IUPACN-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n[nH]c1=O
InChIInChI=1S/C17H21N5O3S/c1-2-9-22-16(25)20-21-17(22)26-10-14(23)19-13-6-4-3-5-12(13)15(24)18-11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,18,24)(H,19,23)(H,20,25)
InChIKeyGBZPAJMUNIDOKF-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.60
Rot. Bonds8

About N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 7456050) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID7456050
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n[nH]c1=O
InChIInChI=1S/C17H21N5O3S/c1-2-9-22-16(25)20-21-17(22)26-10-14(23)19-13-6-4-3-5-12(13)15(24)18-11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,18,24)(H,19,23)(H,20,25)
InChIKeyGBZPAJMUNIDOKF-UHFFFAOYSA-N
XLogP1.60
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 7456050) is N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is CCCn1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n[nH]c1=O.
What is the InChIKey of N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is GBZPAJMUNIDOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-2-9-22-16(25)20-21-17(22)26-10-14(23)19-13-6-4-3-5-12(13)15(24)18-11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,18,24)(H,19,23)(H,20,25).
What are the key properties of N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 7456050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).