2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide

C27H21N5O2S — CID 71678072

IUPAC2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C27H21N5O2S/c33-23(17-18-7-3-1-4-8-18)30-27(35)29-20-11-13-21(14-12-20)34-22-15-16-28-26-24(22)31-25(32-26)19-9-5-2-6-10-19/h1-16H,17H2,(H,28,31,32)(H2,29,30,33,35)
InChIKeyMCOLPRHQDOGADF-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.47
Rot. Bonds6

About 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide

2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide (PubChem CID 71678072) has the molecular formula C27H21N5O2S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide
PubChem CID71678072
Molecular FormulaC27H21N5O2S
Molecular Weight479.57 g/mol
Exact Mass479.14
IUPAC Name2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C27H21N5O2S/c33-23(17-18-7-3-1-4-8-18)30-27(35)29-20-11-13-21(14-12-20)34-22-15-16-28-26-24(22)31-25(32-26)19-9-5-2-6-10-19/h1-16H,17H2,(H,28,31,32)(H2,29,30,33,35)
InChIKeyMCOLPRHQDOGADF-UHFFFAOYSA-N
XLogP5.47
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[[4-(10H-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]carbamothioyl]acetamide
CID 175460817
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
CID 71678236
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
2-(3-chlorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]acetamide
CID 59791998
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 1344774
2-[4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]acetic acid
CID 28688595
N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 3799684
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
CID 87651828

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide (CID 71678072) is 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3nc(-c4ccccc4)[nH]c23)cc1.
What is the InChIKey of 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide?
The InChIKey is MCOLPRHQDOGADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2S/c33-23(17-18-7-3-1-4-8-18)30-27(35)29-20-11-13-21(14-12-20)34-22-15-16-28-26-24(22)31-25(32-26)19-9-5-2-6-10-19/h1-16H,17H2,(H,28,31,32)(H2,29,30,33,35).
What are the key properties of 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide?
2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide has a molecular weight of 479.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 71678072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).