(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide

C19H17N3O4S — CID 135666077

IUPAC(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)sc2c1CCCC2
InChIInChI=1S/C19H17N3O4S/c20-16(24)12-7-9-5-6-10(23)8-13(9)26-18(12)22-19-15(17(21)25)11-3-1-2-4-14(11)27-19/h5-8,23H,1-4H2,(H2,20,24)(H2,21,25)/b22-18-
InChIKeyQLTDFZDDIKKAKO-PYCFMQQDSA-N
MW383.43 g/mol
LogP2.51
Rot. Bonds3

About (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide

(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide (PubChem CID 135666077) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide
PubChem CID135666077
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)sc2c1CCCC2
InChIInChI=1S/C19H17N3O4S/c20-16(24)12-7-9-5-6-10(23)8-13(9)26-18(12)22-19-15(17(21)25)11-3-1-2-4-14(11)27-19/h5-8,23H,1-4H2,(H2,20,24)(H2,21,25)/b22-18-
InChIKeyQLTDFZDDIKKAKO-PYCFMQQDSA-N
XLogP2.51
TPSA131.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 126476223
2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631684
2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide
CID 135631696
2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631702
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 997934
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 5074932
2-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 44825078
2-[[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 23799063
2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 171979949
ethyl 2-[(Z)-(3-carbamothioyl-8-methoxychromen-2-ylidene)amino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 46899880
6-chloro-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-phenylchromene-3-carboxamide
CID 23880806
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide (CID 135666077) is (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide is NC(=O)c1c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)sc2c1CCCC2.
What is the InChIKey of (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide?
The InChIKey is QLTDFZDDIKKAKO-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H17N3O4S/c20-16(24)12-7-9-5-6-10(23)8-13(9)26-18(12)22-19-15(17(21)25)11-3-1-2-4-14(11)27-19/h5-8,23H,1-4H2,(H2,20,24)(H2,21,25)/b22-18-.
What are the key properties of (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide?
(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135666077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).