N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide

C19H18ClN3O6S — CID 108763040

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N
InChIInChI=1S/C19H18ClN3O6S/c1-11(24)17-12(2)29-19(15(17)10-21)22-18(25)14-9-13(3-4-16(14)20)30(26,27)23-5-7-28-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,25)
InChIKeyKDZQTCYFUKEUIT-UHFFFAOYSA-N
MW451.89 g/mol
LogP2.59
Rot. Bonds5

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 108763040) has the molecular formula C19H18ClN3O6S and a molecular weight of 451.89 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID108763040
Molecular FormulaC19H18ClN3O6S
Molecular Weight451.89 g/mol
Exact Mass451.06
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N
InChIInChI=1S/C19H18ClN3O6S/c1-11(24)17-12(2)29-19(15(17)10-21)22-18(25)14-9-13(3-4-16(14)20)30(26,27)23-5-7-28-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,25)
InChIKeyKDZQTCYFUKEUIT-UHFFFAOYSA-N
XLogP2.59
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide (CID 108763040) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide is CC(=O)c1c(C)oc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KDZQTCYFUKEUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O6S/c1-11(24)17-12(2)29-19(15(17)10-21)22-18(25)14-9-13(3-4-16(14)20)30(26,27)23-5-7-28-8-6-23/h3-4,9H,5-8H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 451.89 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 108763040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).