N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide

C37H37ClN4O6S — CID 89347996

IUPACN-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc(C(=O)N/C(C=C3CCN(c4ccccc4CN4CCCCC4=O)CC3)=C\c3ccc(Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C37H37ClN4O6S/c1-49(46,47)40-29-13-14-34-31(22-29)33(43)23-35(48-34)37(45)39-30(20-25-9-11-28(38)12-10-25)21-26-15-18-41(19-16-26)32-7-3-2-6-27(32)24-42-17-5-4-8-36(42)44/h2-3,6-7,9-14,20-23,40H,4-5,8,15-19,24H2,1H3,(H,39,45)/b30-20-
InChIKeySZIKWZXVQDXQSK-COEJQBHMSA-N
MW701.25 g/mol
LogP6.33
Rot. Bonds9

About N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide

N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide (PubChem CID 89347996) has the molecular formula C37H37ClN4O6S and a molecular weight of 701.25 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide
PubChem CID89347996
Molecular FormulaC37H37ClN4O6S
Molecular Weight701.25 g/mol
Exact Mass700.21
IUPAC NameN-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc(C(=O)N/C(C=C3CCN(c4ccccc4CN4CCCCC4=O)CC3)=C\c3ccc(Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C37H37ClN4O6S/c1-49(46,47)40-29-13-14-34-31(22-29)33(43)23-35(48-34)37(45)39-30(20-25-9-11-28(38)12-10-25)21-26-15-18-41(19-16-26)32-7-3-2-6-27(32)24-42-17-5-4-8-36(42)44/h2-3,6-7,9-14,20-23,40H,4-5,8,15-19,24H2,1H3,(H,39,45)/b30-20-
InChIKeySZIKWZXVQDXQSK-COEJQBHMSA-N
XLogP6.33
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.25
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide (CID 89347996) is N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide is CS(=O)(=O)Nc1ccc2oc(C(=O)N/C(C=C3CCN(c4ccccc4CN4CCCCC4=O)CC3)=C\c3ccc(Cl)cc3)cc(=O)c2c1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide?
The InChIKey is SZIKWZXVQDXQSK-COEJQBHMSA-N. The full InChI is InChI=1S/C37H37ClN4O6S/c1-49(46,47)40-29-13-14-34-31(22-29)33(43)23-35(48-34)37(45)39-30(20-25-9-11-28(38)12-10-25)21-26-15-18-41(19-16-26)32-7-3-2-6-27(32)24-42-17-5-4-8-36(42)44/h2-3,6-7,9-14,20-23,40H,4-5,8,15-19,24H2,1H3,(H,39,45)/b30-20-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide?
N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide has a molecular weight of 701.25 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)-3-[1-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-4-ylidene]prop-1-en-2-yl]-6-(methanesulfonamido)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 89347996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).