N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

C18H27N5O3S — CID 119439527

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N5O3S/c1-6-19-11-15-9-7-8-10-16(15)20-18(24)13(3)22-27(25,26)17-12(2)21-23(5)14(17)4/h7-10,13,19,22H,6,11H2,1-5H3,(H,20,24)
InChIKeyXSAFCKALAQGLFR-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.45
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 119439527) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID119439527
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N5O3S/c1-6-19-11-15-9-7-8-10-16(15)20-18(24)13(3)22-27(25,26)17-12(2)21-23(5)14(17)4/h7-10,13,19,22H,6,11H2,1-5H3,(H,20,24)
InChIKeyXSAFCKALAQGLFR-UHFFFAOYSA-N
XLogP1.45
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119440655
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
N-(6-amino-3-pyridinyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119515569
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245991
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439959
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119606795

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (CID 119439527) is N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is CCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is XSAFCKALAQGLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-6-19-11-15-9-7-8-10-16(15)20-18(24)13(3)22-27(25,26)17-12(2)21-23(5)14(17)4/h7-10,13,19,22H,6,11H2,1-5H3,(H,20,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 393.51 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119439527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).