(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide

C18H25N3O4S — CID 143926014

IUPAC(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide
SMILESCC(C)CCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc2ccc(N)cc2c1
InChIInChI=1S/C18H25N3O4S/c1-12(2)8-9-21(13(3)18(22)20-23)26(24,25)17-7-5-14-4-6-16(19)10-15(14)11-17/h4-7,10-13,23H,8-9,19H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyCVBRNMBGVCXUDQ-CYBMUJFWSA-N
MW379.48 g/mol
LogP2.35
Rot. Bonds7

About (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide

(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide (PubChem CID 143926014) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide
PubChem CID143926014
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide
SMILESCC(C)CCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc2ccc(N)cc2c1
InChIInChI=1S/C18H25N3O4S/c1-12(2)8-9-21(13(3)18(22)20-23)26(24,25)17-7-5-14-4-6-16(19)10-15(14)11-17/h4-7,10-13,23H,8-9,19H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyCVBRNMBGVCXUDQ-CYBMUJFWSA-N
XLogP2.35
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
(2R)-N-hydroxy-2-[(7-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 57394732
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
CID 44608939
(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 122196499
(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
CID 24759242
(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
CID 122196492
N-hydroxy-1-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]cyclopropane-1-carboxamide
CID 58256209
tert-butyl (2R)-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanoate
CID 67155284
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
CID 58256163
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
CID 87753732
CID 87753732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide (CID 143926014) is (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide is CC(C)CCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc2ccc(N)cc2c1.
What is the InChIKey of (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide?
The InChIKey is CVBRNMBGVCXUDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12(2)8-9-21(13(3)18(22)20-23)26(24,25)17-7-5-14-4-6-16(19)10-15(14)11-17/h4-7,10-13,23H,8-9,19H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide?
(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide has a molecular weight of 379.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide is sourced from PubChem (CID 143926014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).