2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C20H21N5O3S2 — CID 2522291

IUPAC2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C20H21N5O3S2/c1-28-14-8-6-13(7-9-14)10-11-22-18(27)15-4-2-3-5-16(15)23-17(26)12-29-20-25-24-19(21)30-20/h2-9H,10-12H2,1H3,(H2,21,24)(H,22,27)(H,23,26)
InChIKeyAHCDLNUPYMXBRE-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.83
Rot. Bonds9

About 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 2522291) has the molecular formula C20H21N5O3S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID2522291
Molecular FormulaC20H21N5O3S2
Molecular Weight443.55 g/mol
Exact Mass443.11
IUPAC Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C20H21N5O3S2/c1-28-14-8-6-13(7-9-14)10-11-22-18(27)15-4-2-3-5-16(15)23-17(26)12-29-20-25-24-19(21)30-20/h2-9H,10-12H2,1H3,(H2,21,24)(H,22,27)(H,23,26)
InChIKeyAHCDLNUPYMXBRE-UHFFFAOYSA-N
XLogP2.83
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide with MolForge

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Related Compounds

2-[[5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883642
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
CID 46997951
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
CID 28578361
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23850710
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 43249711
2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 7737880
N-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 980224
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 2522291) is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1.
What is the InChIKey of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is AHCDLNUPYMXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S2/c1-28-14-8-6-13(7-9-14)10-11-22-18(27)15-4-2-3-5-16(15)23-17(26)12-29-20-25-24-19(21)30-20/h2-9H,10-12H2,1H3,(H2,21,24)(H,22,27)(H,23,26).
What are the key properties of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2522291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).