N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide

C20H30N2O3S — CID 10193969

IUPACN-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESCCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C20H30N2O3S/c1-5-13-22(20(2,3)4)15-17(23)14-21-26(24,25)19-12-8-10-16-9-6-7-11-18(16)19/h6-12,17,21,23H,5,13-15H2,1-4H3/t17-/m0/s1
InChIKeyQEICWEJXHSYJEP-KRWDZBQOSA-N
MW378.54 g/mol
LogP2.99
Rot. Bonds8

About N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide

N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide (PubChem CID 10193969) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide
PubChem CID10193969
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESCCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C20H30N2O3S/c1-5-13-22(20(2,3)4)15-17(23)14-21-26(24,25)19-12-8-10-16-9-6-7-11-18(16)19/h6-12,17,21,23H,5,13-15H2,1-4H3/t17-/m0/s1
InChIKeyQEICWEJXHSYJEP-KRWDZBQOSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide (CID 10193969) is N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide is CCCN(C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The InChIKey is QEICWEJXHSYJEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-5-13-22(20(2,3)4)15-17(23)14-21-26(24,25)19-12-8-10-16-9-6-7-11-18(16)19/h6-12,17,21,23H,5,13-15H2,1-4H3/t17-/m0/s1.
What are the key properties of N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide?
N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10193969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).