N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

C25H27N3O4S — CID 45372888

IUPACN-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc21
InChIInChI=1S/C25H27N3O4S/c1-5-28-22-9-7-6-8-20(22)21-15-18(10-12-23(21)28)26-25(29)16-27(3)33(30,31)19-11-13-24(32-4)17(2)14-19/h6-15H,5,16H2,1-4H3,(H,26,29)
InChIKeyPZYIKOWOJBCQTK-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.39
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 45372888) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID45372888
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc21
InChIInChI=1S/C25H27N3O4S/c1-5-28-22-9-7-6-8-20(22)21-15-18(10-12-23(21)28)26-25(29)16-27(3)33(30,31)19-11-13-24(32-4)17(2)14-19/h6-15H,5,16H2,1-4H3,(H,26,29)
InChIKeyPZYIKOWOJBCQTK-UHFFFAOYSA-N
XLogP4.39
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168613
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
2-[benzenesulfonyl(ethyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 45372945
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
2-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (CID 45372888) is N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is CCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is PZYIKOWOJBCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-5-28-22-9-7-6-8-20(22)21-15-18(10-12-23(21)28)26-25(29)16-27(3)33(30,31)19-11-13-24(32-4)17(2)14-19/h6-15H,5,16H2,1-4H3,(H,26,29).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 465.58 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).