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

C20H28N4O5S — CID 55845442

IUPACN-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C20H28N4O5S/c1-5-24(6-2)19-10-7-15(14-21-19)23-20(25)11-12-22-30(26,27)16-8-9-17(28-3)18(13-16)29-4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,23,25)
InChIKeyNAKCBDFHEPOZNZ-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.25
Rot. Bonds11

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

N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55845442) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID55845442
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C20H28N4O5S/c1-5-24(6-2)19-10-7-15(14-21-19)23-20(25)11-12-22-30(26,27)16-8-9-17(28-3)18(13-16)29-4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,23,25)
InChIKeyNAKCBDFHEPOZNZ-UHFFFAOYSA-N
XLogP2.25
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30091951
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[6-(diethylamino)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545982
N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55784153
N-[6-(diethylamino)-3-pyridinyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55964508
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 55845442) is N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is CCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is NAKCBDFHEPOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-5-24(6-2)19-10-7-15(14-21-19)23-20(25)11-12-22-30(26,27)16-8-9-17(28-3)18(13-16)29-4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,23,25).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 436.53 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55845442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).