6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide

C23H22ClN3O4S — CID 19289178

IUPAC6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2
InChIInChI=1S/C23H22ClN3O4S/c24-14-5-6-17-13(11-14)12-16(20(25)31-17)21(28)26-22-19(15-3-1-2-4-18(15)32-22)23(29)27-7-9-30-10-8-27/h5-6,11-12,25H,1-4,7-10H2,(H,26,28)/b25-20-
InChIKeyZUKSZXXXVWBRIT-QQTULTPQSA-N
MW471.97 g/mol
LogP4.23
Rot. Bonds3

About 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide

6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide (PubChem CID 19289178) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
PubChem CID19289178
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2
InChIInChI=1S/C23H22ClN3O4S/c24-14-5-6-17-13(11-14)12-16(20(25)31-17)21(28)26-22-19(15-3-1-2-4-18(15)32-22)23(29)27-7-9-30-10-8-27/h5-6,11-12,25H,1-4,7-10H2,(H,26,28)/b25-20-
InChIKeyZUKSZXXXVWBRIT-QQTULTPQSA-N
XLogP4.23
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide with MolForge

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Related Compounds

7-(diethylamino)-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
CID 19289177
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 19572167
methyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572092
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide
CID 17451681
ethyl 2-[(2-iminochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572149
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18876068
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19572131
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895
3-methyl-N-[3-(morpholine-4-carbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]butanamide
CID 23796833
methyl 2-[(2-imino-8-methoxychromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 19572171
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 25485899

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide (CID 19289178) is 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2.
What is the InChIKey of 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide?
The InChIKey is ZUKSZXXXVWBRIT-QQTULTPQSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c24-14-5-6-17-13(11-14)12-16(20(25)31-17)21(28)26-22-19(15-3-1-2-4-18(15)32-22)23(29)27-7-9-30-10-8-27/h5-6,11-12,25H,1-4,7-10H2,(H,26,28)/b25-20-.
What are the key properties of 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide?
6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide has a molecular weight of 471.97 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide is sourced from PubChem (CID 19289178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).