N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide

C22H25N3O4S — CID 20910042

IUPACN-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H25N3O4S/c1-25(14-22(26)24-20-9-5-6-10-21(20)29-2)30(27,28)15-11-12-19-17(13-15)16-7-3-4-8-18(16)23-19/h5-6,9-13,23H,3-4,7-8,14H2,1-2H3,(H,24,26)
InChIKeyPFUXTYYDOMVABP-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.31
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide

N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide (PubChem CID 20910042) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
PubChem CID20910042
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C22H25N3O4S/c1-25(14-22(26)24-20-9-5-6-10-21(20)29-2)30(27,28)15-11-12-19-17(13-15)16-7-3-4-8-18(16)23-19/h5-6,9-13,23H,3-4,7-8,14H2,1-2H3,(H,24,26)
InChIKeyPFUXTYYDOMVABP-UHFFFAOYSA-N
XLogP3.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825398
4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10429739
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 363314
4-[3-(4-(111C)methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
CID 168287185
(R)-2-(4-Methoxy-benzenesulfonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid hydroxyamide
CID 10501217
N-(2,5-dimethoxyphenyl)-9-ethylcarbazole-3-sulfonamide
CID 16090510
N-(2,4-dimethoxyphenyl)-9-ethylcarbazole-3-sulfonamide
CID 16090521
9-methyl-N-(2,4,6-trimethoxyphenyl)carbazole-3-sulfonamide
CID 16090522
N-(4-{[2-(5-methoxy-1H-indol-3-yl)ethyl]sulfamoyl}phenyl)acetamide
CID 3161294
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide
CID 4541371
3-(1H-indol-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 4875250
N-[2-(1H-indol-3-yl)ethyl]-N''-[[3-(4-methoxyphenyl)sulfonyl-2-oxazolidinyl]methyl]oxamide
CID 12006019

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide (CID 20910042) is N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide is COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The InChIKey is PFUXTYYDOMVABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-25(14-22(26)24-20-9-5-6-10-21(20)29-2)30(27,28)15-11-12-19-17(13-15)16-7-3-4-8-18(16)23-19/h5-6,9-13,23H,3-4,7-8,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide has a molecular weight of 427.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 20910042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).