N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide

C16H15N3O3S — CID 42581704

IUPACN-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(CCCNC(=O)c1cc2ccccc2o1)Nc1nccs1
InChIInChI=1S/C16H15N3O3S/c20-14(19-16-18-8-9-23-16)6-3-7-17-15(21)13-10-11-4-1-2-5-12(11)22-13/h1-2,4-5,8-10H,3,6-7H2,(H,17,21)(H,18,19,20)
InChIKeyVRECNUSBSRWYDX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.04
Rot. Bonds6

About N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide

N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide (PubChem CID 42581704) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
PubChem CID42581704
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(CCCNC(=O)c1cc2ccccc2o1)Nc1nccs1
InChIInChI=1S/C16H15N3O3S/c20-14(19-16-18-8-9-23-16)6-3-7-17-15(21)13-10-11-4-1-2-5-12(11)22-13/h1-2,4-5,8-10H,3,6-7H2,(H,17,21)(H,18,19,20)
InChIKeyVRECNUSBSRWYDX-UHFFFAOYSA-N
XLogP3.04
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1092840
N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 71797167
N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 78985913
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 942201
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide (CID 42581704) is N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide is O=C(CCCNC(=O)c1cc2ccccc2o1)Nc1nccs1.
What is the InChIKey of N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide?
The InChIKey is VRECNUSBSRWYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-14(19-16-18-8-9-23-16)6-3-7-17-15(21)13-10-11-4-1-2-5-12(11)22-13/h1-2,4-5,8-10H,3,6-7H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide?
N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42581704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).