N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide

C20H25N3O3S2 — CID 46891055

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1
InChIInChI=1S/C20H25N3O3S2/c1-21-11-9-15(10-12-21)22(2)20(24)17-14-23(18-7-4-3-6-16(17)18)28(25,26)19-8-5-13-27-19/h3-8,13,15,17H,9-12,14H2,1-2H3
InChIKeyZXTAVKXRQREDLV-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.59
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 46891055) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID46891055
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1
InChIInChI=1S/C20H25N3O3S2/c1-21-11-9-15(10-12-21)22(2)20(24)17-14-23(18-7-4-3-6-16(17)18)28(25,26)19-8-5-13-27-19/h3-8,13,15,17H,9-12,14H2,1-2H3
InChIKeyZXTAVKXRQREDLV-UHFFFAOYSA-N
XLogP2.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68769854
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68774657
methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
CID 110672703
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CID 104538378
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
CID 71647043
1-(2-piperidin-1-ylethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxaline
CID 110361536
N-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 102583329
6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636432
4-[2-(4-thiophen-2-ylsulfonyl-2,3-dihydroquinoxalin-1-yl)ethyl]morpholine
CID 110361596
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-thiophen-2-ylsulfonylpiperidin-3-yl]propanoic acid
CID 133126956
N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide (CID 46891055) is N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is ZXTAVKXRQREDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-21-11-9-15(10-12-21)22(2)20(24)17-14-23(18-7-4-3-6-16(17)18)28(25,26)19-8-5-13-27-19/h3-8,13,15,17H,9-12,14H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).