N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide

C23H28ClN3O4S — CID 20969895

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-14(2)20(21(28)25-13-15-8-6-7-9-18(15)24)26-32(30,31)16-10-11-19-17(12-16)23(3,4)22(29)27(19)5/h6-12,14,20,26H,13H2,1-5H3,(H,25,28)
InChIKeyNSOUNFYRNPUHHX-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.21
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide

N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide (PubChem CID 20969895) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide
PubChem CID20969895
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-14(2)20(21(28)25-13-15-8-6-7-9-18(15)24)26-32(30,31)16-10-11-19-17(12-16)23(3,4)22(29)27(19)5/h6-12,14,20,26H,13H2,1-5H3,(H,25,28)
InChIKeyNSOUNFYRNPUHHX-UHFFFAOYSA-N
XLogP3.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide (CID 20969895) is N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide is CC(C)C(NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide?
The InChIKey is NSOUNFYRNPUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-14(2)20(21(28)25-13-15-8-6-7-9-18(15)24)26-32(30,31)16-10-11-19-17(12-16)23(3,4)22(29)27(19)5/h6-12,14,20,26H,13H2,1-5H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide?
N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide has a molecular weight of 478.01 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]butanamide is sourced from PubChem (CID 20969895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).