N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

C19H27N3O3S — CID 138043232

IUPACN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C19H27N3O3S/c1-4-26(24,25)22-9-7-15(8-10-22)12-20-19(23)16-5-6-18-17(11-16)13(2)14(3)21-18/h5-6,11,15,21H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNZUIHBURBRRATQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.58
Rot. Bonds5

About N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 138043232) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID138043232
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1
InChIInChI=1S/C19H27N3O3S/c1-4-26(24,25)22-9-7-15(8-10-22)12-20-19(23)16-5-6-18-17(11-16)13(2)14(3)21-18/h5-6,11,15,21H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNZUIHBURBRRATQ-UHFFFAOYSA-N
XLogP2.58
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 138043232) is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1.
What is the InChIKey of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is NZUIHBURBRRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-26(24,25)22-9-7-15(8-10-22)12-20-19(23)16-5-6-18-17(11-16)13(2)14(3)21-18/h5-6,11,15,21H,4,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 138043232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).