methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate

C24H29N3O5S — CID 55732422

IUPACmethyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-32-24(29)26-21-8-5-17(6-9-21)16-25-23(28)19-11-13-27(14-12-19)33(30,31)22-10-7-18-3-2-4-20(18)15-22/h5-10,15,19H,2-4,11-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyPWVYMGRUTXRKRJ-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.07
Rot. Bonds6

About methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate (PubChem CID 55732422) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate
PubChem CID55732422
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Namemethyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-32-24(29)26-21-8-5-17(6-9-21)16-25-23(28)19-11-13-27(14-12-19)33(30,31)22-10-7-18-3-2-4-20(18)15-22/h5-10,15,19H,2-4,11-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyPWVYMGRUTXRKRJ-UHFFFAOYSA-N
XLogP3.07
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate with MolForge

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55669481
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 46494294
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55804539
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 33021489
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30859107
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate (CID 55732422) is methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate?
The InChIKey is PWVYMGRUTXRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-32-24(29)26-21-8-5-17(6-9-21)16-25-23(28)19-11-13-27(14-12-19)33(30,31)22-10-7-18-3-2-4-20(18)15-22/h5-10,15,19H,2-4,11-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate has a molecular weight of 471.58 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55732422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).