N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide

C22H17N3O3S2 — CID 31521005

IUPACN-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H17N3O3S2/c26-21(15-4-1-7-19(10-15)28-12-18-13-29-14-23-18)24-16-5-2-6-17(11-16)25-22(27)20-8-3-9-30-20/h1-11,13-14H,12H2,(H,24,26)(H,25,27)
InChIKeyMNPCVDMLMTXWCR-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.29
Rot. Bonds7

About N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31521005) has the molecular formula C22H17N3O3S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31521005
Molecular FormulaC22H17N3O3S2
Molecular Weight435.53 g/mol
Exact Mass435.07
IUPAC NameN-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H17N3O3S2/c26-21(15-4-1-7-19(10-15)28-12-18-13-29-14-23-18)24-16-5-2-6-17(11-16)25-22(27)20-8-3-9-30-20/h1-11,13-14H,12H2,(H,24,26)(H,25,27)
InChIKeyMNPCVDMLMTXWCR-UHFFFAOYSA-N
XLogP5.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 34806518
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55777758
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide (CID 31521005) is N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is MNPCVDMLMTXWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S2/c26-21(15-4-1-7-19(10-15)28-12-18-13-29-14-23-18)24-16-5-2-6-17(11-16)25-22(27)20-8-3-9-30-20/h1-11,13-14H,12H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31521005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).