3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

C20H26N4O6S — CID 30091951

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC
InChIInChI=1S/C20H26N4O6S/c1-28-17-5-4-16(13-18(17)29-2)31(26,27)22-8-7-20(25)23-15-3-6-19(21-14-15)24-9-11-30-12-10-24/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,25)
InChIKeyHLNTVHNRSKUALT-UHFFFAOYSA-N
MW450.52 g/mol
LogP1.24
Rot. Bonds9

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (PubChem CID 30091951) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
PubChem CID30091951
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC
InChIInChI=1S/C20H26N4O6S/c1-28-17-5-4-16(13-18(17)29-2)31(26,27)22-8-7-20(25)23-15-3-6-19(21-14-15)24-9-11-30-12-10-24/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,25)
InChIKeyHLNTVHNRSKUALT-UHFFFAOYSA-N
XLogP1.24
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845442
2-(2-methoxy-4-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 55501091
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24610754
2-[5-(1-hydroxyethyl)-2-methoxyphenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 42946437
3-(2,5-dimethylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30770544
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide (CID 30091951) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
The InChIKey is HLNTVHNRSKUALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-28-17-5-4-16(13-18(17)29-2)31(26,27)22-8-7-20(25)23-15-3-6-19(21-14-15)24-9-11-30-12-10-24/h3-6,13-14,22H,7-12H2,1-2H3,(H,23,25).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide has a molecular weight of 450.52 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 30091951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).