N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide

C23H20ClN3O4S — CID 90129924

IUPACN-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O4S/c1-15-13-18(27-11-12-32(27,30)31)8-9-19(15)23(29)25-17-7-10-20(24)21(14-17)26-22(28)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,29)(H,26,28)
InChIKeyCORSCHAERQUEFM-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.30
Rot. Bonds5

About N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide

N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide (PubChem CID 90129924) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
PubChem CID90129924
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
SMILESCc1cc(N2CCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O4S/c1-15-13-18(27-11-12-32(27,30)31)8-9-19(15)23(29)25-17-7-10-20(24)21(14-17)26-22(28)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,29)(H,26,28)
InChIKeyCORSCHAERQUEFM-UHFFFAOYSA-N
XLogP4.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130358
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130329
N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[2-chloro-5-[[4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 159030255
N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130522
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 160823323
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-fluorobenzamide
CID 118463080
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide (CID 90129924) is N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide is Cc1cc(N2CCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide?
The InChIKey is CORSCHAERQUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-15-13-18(27-11-12-32(27,30)31)8-9-19(15)23(29)25-17-7-10-20(24)21(14-17)26-22(28)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide?
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide has a molecular weight of 469.95 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 90129924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).