2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C23H24N4O3S — CID 126418283

IUPAC2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H24N4O3S/c1-31(29,30)26-19-9-5-11-21-17(19)12-13-27(21)14-22(28)24-20-10-4-7-16-15-6-2-3-8-18(15)25-23(16)20/h2-3,5-6,8-9,11-13,20,25-26H,4,7,10,14H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyNBTROFSCVGZXIP-HXUWFJFHSA-N
MW436.54 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 126418283) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID126418283
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H24N4O3S/c1-31(29,30)26-19-9-5-11-21-17(19)12-13-27(21)14-22(28)24-20-10-4-7-16-15-6-2-3-8-18(15)25-23(16)20/h2-3,5-6,8-9,11-13,20,25-26H,4,7,10,14H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyNBTROFSCVGZXIP-HXUWFJFHSA-N
XLogP3.69
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
N-(1,1-dioxothiolan-3-yl)-2-[4-(methanesulfonamido)indol-1-yl]acetamide
CID 86207176
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 86207509
3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97489350
2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 86206980
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 110205202
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 99755071
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 126418283) is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is NBTROFSCVGZXIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-31(29,30)26-19-9-5-11-21-17(19)12-13-27(21)14-22(28)24-20-10-4-7-16-15-6-2-3-8-18(15)25-23(16)20/h2-3,5-6,8-9,11-13,20,25-26H,4,7,10,14H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 126418283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).