3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C20H19N3O3S — CID 17361447

IUPAC3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-2-11-26-17-5-3-4-15(13-17)19(25)22-16-8-6-14(7-9-16)18(24)23-20-21-10-12-27-20/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyKCHOWQUTSPFDIC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.44
Rot. Bonds7

About 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 17361447) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID17361447
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-2-11-26-17-5-3-4-15(13-17)19(25)22-16-8-6-14(7-9-16)18(24)23-20-21-10-12-27-20/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyKCHOWQUTSPFDIC-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 17361447) is 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is CCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is KCHOWQUTSPFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-11-26-17-5-3-4-15(13-17)19(25)22-16-8-6-14(7-9-16)18(24)23-20-21-10-12-27-20/h3-10,12-13H,2,11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17361447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).