4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide

C17H25N3O6S — CID 47088115

IUPAC4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOC(C(N)=O)C2)C(C)C)cc1
InChIInChI=1S/C17H25N3O6S/c1-11(2)15(17(22)20-8-9-26-14(10-20)16(18)21)19-27(23,24)13-6-4-12(25-3)5-7-13/h4-7,11,14-15,19H,8-10H2,1-3H3,(H2,18,21)/t14?,15-/m0/s1
InChIKeyHWYNDUCLYYRPQC-LOACHALJSA-N
MW399.47 g/mol
LogP-0.29
Rot. Bonds7

About 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide

4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide (PubChem CID 47088115) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
PubChem CID47088115
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOC(C(N)=O)C2)C(C)C)cc1
InChIInChI=1S/C17H25N3O6S/c1-11(2)15(17(22)20-8-9-26-14(10-20)16(18)21)19-27(23,24)13-6-4-12(25-3)5-7-13/h4-7,11,14-15,19H,8-10H2,1-3H3,(H2,18,21)/t14?,15-/m0/s1
InChIKeyHWYNDUCLYYRPQC-LOACHALJSA-N
XLogP-0.29
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholin-2-yl]acetic acid
CID 97324660
4-methoxy-N-[(2S)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 38047743
N-cyclohexyl-4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]piperazine-1-carboxamide
CID 55938529
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
N-[(2S)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzenesulfonamide
CID 33190168
1-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952647
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
4-methoxy-N-[(2S)-3-methyl-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 55938940
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348830
N-(4-aminocyclohexyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119477705

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide (CID 47088115) is 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOC(C(N)=O)C2)C(C)C)cc1.
What is the InChIKey of 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide?
The InChIKey is HWYNDUCLYYRPQC-LOACHALJSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-11(2)15(17(22)20-8-9-26-14(10-20)16(18)21)19-27(23,24)13-6-4-12(25-3)5-7-13/h4-7,11,14-15,19H,8-10H2,1-3H3,(H2,18,21)/t14?,15-/m0/s1.
What are the key properties of 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide?
4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 47088115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).