N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide

C20H19ClN4O3S — CID 17193357

IUPACN-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN4O3S/c1-2-28-16-10-6-4-8-14(16)19(27)23-20-25-24-17(29-20)11-12-22-18(26)13-7-3-5-9-15(13)21/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyZCABVWPVTBNJNC-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.82
Rot. Bonds8

About N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide

N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide (PubChem CID 17193357) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
PubChem CID17193357
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC NameN-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN4O3S/c1-2-28-16-10-6-4-8-14(16)19(27)23-20-25-24-17(29-20)11-12-22-18(26)13-7-3-5-9-15(13)21/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,25,27)
InChIKeyZCABVWPVTBNJNC-UHFFFAOYSA-N
XLogP3.82
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193600
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
2-chloro-N-[2-[5-[[4-(propanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193659
N-[2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193064
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
CID 17193084
2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 51237499
N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193627
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide (CID 17193357) is N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1.
What is the InChIKey of N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
The InChIKey is ZCABVWPVTBNJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-2-28-16-10-6-4-8-14(16)19(27)23-20-25-24-17(29-20)11-12-22-18(26)13-7-3-5-9-15(13)21/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,25,27).
What are the key properties of N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide?
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide has a molecular weight of 430.92 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 17193357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).