(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

C21H28N4O5S — CID 30770667

IUPAC(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C(C)C)cc1
InChIInChI=1S/C21H28N4O5S/c1-15(2)20(24-31(27,28)18-7-5-17(29-3)6-8-18)21(26)23-16-4-9-19(22-14-16)25-10-12-30-13-11-25/h4-9,14-15,20,24H,10-13H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyABDQLXVSVHJTNM-FQEVSTJZSA-N
MW448.55 g/mol
LogP1.87
Rot. Bonds8

About (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (PubChem CID 30770667) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
PubChem CID30770667
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C(C)C)cc1
InChIInChI=1S/C21H28N4O5S/c1-15(2)20(24-31(27,28)18-7-5-17(29-3)6-8-18)21(26)23-16-4-9-19(22-14-16)25-10-12-30-13-11-25/h4-9,14-15,20,24H,10-13H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyABDQLXVSVHJTNM-FQEVSTJZSA-N
XLogP1.87
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 31717997
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
CID 55940508
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 31574700
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30091951
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (CID 30770667) is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The InChIKey is ABDQLXVSVHJTNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-15(2)20(24-31(27,28)18-7-5-17(29-3)6-8-18)21(26)23-16-4-9-19(22-14-16)25-10-12-30-13-11-25/h4-9,14-15,20,24H,10-13H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide has a molecular weight of 448.55 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 30770667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).