5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide

C19H16Cl2N4O2S — CID 155256824

IUPAC5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N4O2S/c1-19(2,12-6-4-8-14(21)10-12)23-17(27)15-18(28-25-24-15)22-16(26)11-5-3-7-13(20)9-11/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyHPWHNDFJZREUQH-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.76
Rot. Bonds5

About 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide

5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide (PubChem CID 155256824) has the molecular formula C19H16Cl2N4O2S and a molecular weight of 435.34 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
PubChem CID155256824
Molecular FormulaC19H16Cl2N4O2S
Molecular Weight435.34 g/mol
Exact Mass434.04
IUPAC Name5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N4O2S/c1-19(2,12-6-4-8-14(21)10-12)23-17(27)15-18(28-25-24-15)22-16(26)11-5-3-7-13(20)9-11/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyHPWHNDFJZREUQH-UHFFFAOYSA-N
XLogP4.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-[3-(4-chlorophenyl)butanoyl]thiadiazol-5-yl]benzamide
CID 165073098
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 110445853
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
CID 110443744
(Z)-2-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-sulfanylbut-2-enamide;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 155717382
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17012997
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide (CID 155256824) is 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide is CC(C)(NC(=O)c1nnsc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide?
The InChIKey is HPWHNDFJZREUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S/c1-19(2,12-6-4-8-14(21)10-12)23-17(27)15-18(28-25-24-15)22-16(26)11-5-3-7-13(20)9-11/h3-10H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide?
5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide has a molecular weight of 435.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 155256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).