N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

C16H24ClN5O3S — CID 119440655

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C16H23N5O3S.ClH/c1-4-17-9-13-7-5-6-8-15(13)19-16(22)12(2)20-25(23,24)14-10-18-21(3)11-14;/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22);1H
InChIKeyUARQYJBBMJLAFG-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119440655) has the molecular formula C16H24ClN5O3S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119440655
Molecular FormulaC16H24ClN5O3S
Molecular Weight401.92 g/mol
Exact Mass401.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C16H23N5O3S.ClH/c1-4-17-9-13-7-5-6-8-15(13)19-16(22)12(2)20-25(23,24)14-10-18-21(3)11-14;/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22);1H
InChIKeyUARQYJBBMJLAFG-UHFFFAOYSA-N
XLogP1.26
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119440655) is N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is CCNCc1ccccc1NC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is UARQYJBBMJLAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S.ClH/c1-4-17-9-13-7-5-6-8-15(13)19-16(22)12(2)20-25(23,24)14-10-18-21(3)11-14;/h5-8,10-12,17,20H,4,9H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 401.92 g/mol, XLogP of 1.26, 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-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119440655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).