2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate

C32H35N3O5S — CID 70289972

IUPAC2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)COC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H35N3O5S/c1-23(2)22-40-32(37)35(29-14-12-25-8-4-6-10-27(25)20-29)24(3)31(36)33-16-18-34(19-17-33)41(38,39)30-15-13-26-9-5-7-11-28(26)21-30/h4-15,20-21,23-24H,16-19,22H2,1-3H3
InChIKeyXJCRBFQAXXBJPQ-UHFFFAOYSA-N
MW573.72 g/mol
LogP5.51
Rot. Bonds7

About 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate

2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 70289972) has the molecular formula C32H35N3O5S and a molecular weight of 573.72 g/mol. Its IUPAC name is 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID70289972
Molecular FormulaC32H35N3O5S
Molecular Weight573.72 g/mol
Exact Mass573.23
IUPAC Name2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)COC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H35N3O5S/c1-23(2)22-40-32(37)35(29-14-12-25-8-4-6-10-27(25)20-29)24(3)31(36)33-16-18-34(19-17-33)41(38,39)30-15-13-26-9-5-7-11-28(26)21-30/h4-15,20-21,23-24H,16-19,22H2,1-3H3
InChIKeyXJCRBFQAXXBJPQ-UHFFFAOYSA-N
XLogP5.51
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate (CID 70289972) is 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate is CC(C)COC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is XJCRBFQAXXBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5S/c1-23(2)22-40-32(37)35(29-14-12-25-8-4-6-10-27(25)20-29)24(3)31(36)33-16-18-34(19-17-33)41(38,39)30-15-13-26-9-5-7-11-28(26)21-30/h4-15,20-21,23-24H,16-19,22H2,1-3H3.
What are the key properties of 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 573.72 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-naphthalen-2-yl-N-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 70289972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).