(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

C19H26N4O3S — CID 30273537

IUPAC(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N(C)C)nc2)C(C)C)cc1
InChIInChI=1S/C19H26N4O3S/c1-13(2)18(22-27(25,26)16-9-6-14(3)7-10-16)19(24)21-15-8-11-17(20-12-15)23(4)5/h6-13,18,22H,1-5H3,(H,21,24)/t18-/m0/s1
InChIKeyBTGNVXNGVVOKHU-SFHVURJKSA-N
MW390.51 g/mol
LogP2.40
Rot. Bonds7

About (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 30273537) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID30273537
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N(C)C)nc2)C(C)C)cc1
InChIInChI=1S/C19H26N4O3S/c1-13(2)18(22-27(25,26)16-9-6-14(3)7-10-16)19(24)21-15-8-11-17(20-12-15)23(4)5/h6-13,18,22H,1-5H3,(H,21,24)/t18-/m0/s1
InChIKeyBTGNVXNGVVOKHU-SFHVURJKSA-N
XLogP2.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 1274947
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 30294717
(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
CID 146149113
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 42770101
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
CID 25496727
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
4-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 27670347
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606236
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 30273537) is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N(C)C)nc2)C(C)C)cc1.
What is the InChIKey of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is BTGNVXNGVVOKHU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13(2)18(22-27(25,26)16-9-6-14(3)7-10-16)19(24)21-15-8-11-17(20-12-15)23(4)5/h6-13,18,22H,1-5H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 390.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 30273537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).