N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C17H16N4O4S — CID 24543366

IUPACN-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccco1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H16N4O4S/c22-14(19-10-16-21-11-4-1-2-6-13(11)26-16)8-18-15(23)9-20-17(24)12-5-3-7-25-12/h1-7H,8-10H2,(H,18,23)(H,19,22)(H,20,24)
InChIKeyKOBKSAUJFHCJEN-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.05
Rot. Bonds7

About N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24543366) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24543366
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)CNC(=O)c1ccco1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H16N4O4S/c22-14(19-10-16-21-11-4-1-2-6-13(11)26-16)8-18-15(23)9-20-17(24)12-5-3-7-25-12/h1-7H,8-10H2,(H,18,23)(H,19,22)(H,20,24)
InChIKeyKOBKSAUJFHCJEN-UHFFFAOYSA-N
XLogP1.05
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 39966747
N-[(2S)-1-(1,3-benzothiazol-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38135256
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9238370
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 87033245
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 9406398
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 24543366) is N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)CNC(=O)c1ccco1)NCc1nc2ccccc2s1.
What is the InChIKey of N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is KOBKSAUJFHCJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-14(19-10-16-21-11-4-1-2-6-13(11)26-16)8-18-15(23)9-20-17(24)12-5-3-7-25-12/h1-7H,8-10H2,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).