1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide

C16H24N2O4S — CID 53160481

IUPAC1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-10-4-8-17-16(19)14-6-5-13-7-9-18(15(13)11-14)23(3,20)21/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyXEKWZXXSGDUFHH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.55
Rot. Bonds7

About 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide

1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160481) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160481
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-10-4-8-17-16(19)14-6-5-13-7-9-18(15(13)11-14)23(3,20)21/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyXEKWZXXSGDUFHH-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9425229
N-(3-methoxypropyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 25234292
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
1-methylsulfonyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydroindole-5-carboxamide
CID 55742076
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160452

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide (CID 53160481) is 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide is CC(C)OCCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2.
What is the InChIKey of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is XEKWZXXSGDUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)22-10-4-8-17-16(19)14-6-5-13-7-9-18(15(13)11-14)23(3,20)21/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide?
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).