1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide

C22H30N2O3S — CID 8795441

IUPAC1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)24(17(3)4)22(25)19-11-13-23(14-12-19)28(26,27)21-10-9-18-7-5-6-8-20(18)15-21/h5-10,15-17,19H,11-14H2,1-4H3
InChIKeyZTJHMTAFKYBXPD-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.89
Rot. Bonds5

About 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide (PubChem CID 8795441) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide
PubChem CID8795441
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)C
InChIInChI=1S/C22H30N2O3S/c1-16(2)24(17(3)4)22(25)19-11-13-23(14-12-19)28(26,27)21-10-9-18-7-5-6-8-20(18)15-21/h5-10,15-17,19H,11-14H2,1-4H3
InChIKeyZTJHMTAFKYBXPD-UHFFFAOYSA-N
XLogP3.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide (CID 8795441) is 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide is CC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)C.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide?
The InChIKey is ZTJHMTAFKYBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16(2)24(17(3)4)22(25)19-11-13-23(14-12-19)28(26,27)21-10-9-18-7-5-6-8-20(18)15-21/h5-10,15-17,19H,11-14H2,1-4H3.
What are the key properties of 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 8795441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).