N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C19H32N2O4S — CID 67575461

IUPACN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1
InChIInChI=1S/C19H32N2O4S/c1-12(2)8-16(11-20-17-6-7-25-19(17)22)21-26(23,24)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,19-22H,6-8,11H2,1-5H3/t16-,17+,19?/m1/s1
InChIKeyHWMQSGQTUKLFBX-FQZXCLDYSA-N
MW384.54 g/mol
LogP2.00
Rot. Bonds8

About N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 67575461) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID67575461
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1
InChIInChI=1S/C19H32N2O4S/c1-12(2)8-16(11-20-17-6-7-25-19(17)22)21-26(23,24)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,19-22H,6-8,11H2,1-5H3/t16-,17+,19?/m1/s1
InChIKeyHWMQSGQTUKLFBX-FQZXCLDYSA-N
XLogP2.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 67575461) is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](CN[C@H]2CCOC2O)CC(C)C)c(C)c1.
What is the InChIKey of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HWMQSGQTUKLFBX-FQZXCLDYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-12(2)8-16(11-20-17-6-7-25-19(17)22)21-26(23,24)18-14(4)9-13(3)10-15(18)5/h9-10,12,16-17,19-22H,6-8,11H2,1-5H3/t16-,17+,19?/m1/s1.
What are the key properties of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 67575461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).