N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C16H19N5O2S — CID 8988351

IUPACN-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H19N5O2S/c1-2-21-10-17-20-16(21)24-9-14(22)19-13-6-4-3-5-12(13)15(23)18-11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyVUBLMAXPKLYUNK-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.92
Rot. Bonds7

About N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 8988351) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID8988351
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H19N5O2S/c1-2-21-10-17-20-16(21)24-9-14(22)19-13-6-4-3-5-12(13)15(23)18-11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,23)(H,19,22)
InChIKeyVUBLMAXPKLYUNK-UHFFFAOYSA-N
XLogP1.92
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 8988351) is N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is CCn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is VUBLMAXPKLYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-21-10-17-20-16(21)24-9-14(22)19-13-6-4-3-5-12(13)15(23)18-11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 345.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 8988351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).