(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide

C19H25N3O5S — CID 10971531

IUPAC(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO[11CH3])C(C)C)cc1
InChIInChI=1S/C19H25N3O5S/c1-14(2)18(19(23)21-27-4)22(13-15-6-5-11-20-12-15)28(24,25)17-9-7-16(26-3)8-10-17/h5-12,14,18H,13H2,1-4H3,(H,21,23)/t18-/m1/s1/i4-1
InChIKeyVPJJCPFANUTTHA-FKNUTUGJSA-N
MW406.49 g/mol
LogP1.98
Rot. Bonds9

About (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide

(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide (PubChem CID 10971531) has the molecular formula C19H25N3O5S and a molecular weight of 406.49 g/mol. Its IUPAC name is (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
PubChem CID10971531
Molecular FormulaC19H25N3O5S
Molecular Weight406.49 g/mol
Exact Mass406.16
IUPAC Name(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO[11CH3])C(C)C)cc1
InChIInChI=1S/C19H25N3O5S/c1-14(2)18(19(23)21-27-4)22(13-15-6-5-11-20-12-15)28(24,25)17-9-7-16(26-3)8-10-17/h5-12,14,18H,13H2,1-4H3,(H,21,23)/t18-/m1/s1/i4-1
InChIKeyVPJJCPFANUTTHA-FKNUTUGJSA-N
XLogP1.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 22859998
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2R)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-oxobutanamide
CID 23585918
(2R)-N-[(2,4-dimethoxyphenyl)methoxy]-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 22859996
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465371
(2R)-2-[(2-fluoro-4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 10319425

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide?
The IUPAC name of (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide (CID 10971531) is (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO[11CH3])C(C)C)cc1.
What is the InChIKey of (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide?
The InChIKey is VPJJCPFANUTTHA-FKNUTUGJSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-14(2)18(19(23)21-27-4)22(13-15-6-5-11-20-12-15)28(24,25)17-9-7-16(26-3)8-10-17/h5-12,14,18H,13H2,1-4H3,(H,21,23)/t18-/m1/s1/i4-1.
What are the key properties of (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide?
(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide has a molecular weight of 406.49 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 10971531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).