5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide

C22H34N4O3S — CID 93076605

IUPAC5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCC[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H34N4O3S/c1-5-26-20-10-9-19(30(28,29)24(3)4)14-18(20)15-21(26)22(27)23-11-7-13-25-12-6-8-17(2)16-25/h9-10,14-15,17H,5-8,11-13,16H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeyCDLMVYHWGOKBAY-QGZVFWFLSA-N
MW434.61 g/mol
LogP2.76
Rot. Bonds8

About 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide

5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide (PubChem CID 93076605) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
PubChem CID93076605
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCC[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H34N4O3S/c1-5-26-20-10-9-19(30(28,29)24(3)4)14-18(20)15-21(26)22(27)23-11-7-13-25-12-6-8-17(2)16-25/h9-10,14-15,17H,5-8,11-13,16H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeyCDLMVYHWGOKBAY-QGZVFWFLSA-N
XLogP2.76
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide (CID 93076605) is 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide is CCn1c(C(=O)NCCCN2CCC[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide?
The InChIKey is CDLMVYHWGOKBAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-5-26-20-10-9-19(30(28,29)24(3)4)14-18(20)15-21(26)22(27)23-11-7-13-25-12-6-8-17(2)16-25/h9-10,14-15,17H,5-8,11-13,16H2,1-4H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide?
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide is sourced from PubChem (CID 93076605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).