N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide

C23H15N3O3S2 — CID 5051223

IUPACN-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1)c1cccs1
InChIInChI=1S/C23H15N3O3S2/c27-21(19-3-1-11-30-19)24-15-7-5-14(6-8-15)23-26-17-13-16(9-10-18(17)29-23)25-22(28)20-4-2-12-31-20/h1-13H,(H,24,27)(H,25,28)
InChIKeyJFJUHFWMQXVBGE-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.12
Rot. Bonds5

About N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 5051223) has the molecular formula C23H15N3O3S2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID5051223
Molecular FormulaC23H15N3O3S2
Molecular Weight445.53 g/mol
Exact Mass445.06
IUPAC NameN-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1)c1cccs1
InChIInChI=1S/C23H15N3O3S2/c27-21(19-3-1-11-30-19)24-15-7-5-14(6-8-15)23-26-17-13-16(9-10-18(17)29-23)25-22(28)20-4-2-12-31-20/h1-13H,(H,24,27)(H,25,28)
InChIKeyJFJUHFWMQXVBGE-UHFFFAOYSA-N
XLogP6.12
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fba 185
CID 17867
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
CID 735993
N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 750297
N-(2-phenyl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 713013
2-pyrrolidin-1-yl-N-[4-[5-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 2932546
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188505
N-[2-[4-[[4-(aminomethyl)phenyl]sulfonylamino]phenyl]-1,3-benzoxazol-5-yl]-5-chlorothiophene-2-sulfonamide
CID 145973142
2-(diethylamino)-N-(2-{4-[2-(diethylamino)acetylamino]phenyl}benzoxazol-5-yl)a cetamide
CID 661005
N-(2-phenyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
CID 401588
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 889089
4-methyl-N-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 1098316

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 5051223) is N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1)c1cccs1.
What is the InChIKey of N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is JFJUHFWMQXVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S2/c27-21(19-3-1-11-30-19)24-15-7-5-14(6-8-15)23-26-17-13-16(9-10-18(17)29-23)25-22(28)20-4-2-12-31-20/h1-13H,(H,24,27)(H,25,28).
What are the key properties of N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(thiophene-2-carbonylamino)-1,3-benzoxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 5051223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).