N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide

C22H22ClN5O3S — CID 17193627

IUPACN-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2nnc(CCNC(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C22H22ClN5O3S/c1-2-6-18(29)25-15-8-5-7-14(13-15)20(30)26-22-28-27-19(32-22)11-12-24-21(31)16-9-3-4-10-17(16)23/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,24,31)(H,25,29)(H,26,28,30)
InChIKeyQZWYYJONHHICFA-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.15
Rot. Bonds9

About N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide

N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide (PubChem CID 17193627) has the molecular formula C22H22ClN5O3S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
PubChem CID17193627
Molecular FormulaC22H22ClN5O3S
Molecular Weight471.97 g/mol
Exact Mass471.11
IUPAC NameN-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2nnc(CCNC(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C22H22ClN5O3S/c1-2-6-18(29)25-15-8-5-7-14(13-15)20(30)26-22-28-27-19(32-22)11-12-24-21(31)16-9-3-4-10-17(16)23/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,24,31)(H,25,29)(H,26,28,30)
InChIKeyQZWYYJONHHICFA-UHFFFAOYSA-N
XLogP4.15
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193600
2-chloro-N-[2-[5-[[4-(propanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193659
2-chloro-N-[2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193080
3-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 35540680
N-[2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193064
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
CID 17193084
N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,4-dichlorobenzamide
CID 17193233
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 17193357
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 17193141

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide (CID 17193627) is N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide is CCCC(=O)Nc1cccc(C(=O)Nc2nnc(CCNC(=O)c3ccccc3Cl)s2)c1.
What is the InChIKey of N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The InChIKey is QZWYYJONHHICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3S/c1-2-6-18(29)25-15-8-5-7-14(13-15)20(30)26-22-28-27-19(32-22)11-12-24-21(31)16-9-3-4-10-17(16)23/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,24,31)(H,25,29)(H,26,28,30).
What are the key properties of N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide has a molecular weight of 471.97 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 17193627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).