N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

C15H21N5O3S — CID 119438203

IUPACN-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCCNCc1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1
InChIInChI=1S/C15H21N5O3S/c1-2-17-9-12-4-3-5-13(8-12)19-15(21)6-7-20-11-14(10-18-20)24(16,22)23/h3-5,8,10-11,17H,2,6-7,9H2,1H3,(H,19,21)(H2,16,22,23)
InChIKeyBKBNMXINRBDTAF-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.67
Rot. Bonds8

About N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 119438203) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID119438203
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCCNCc1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1
InChIInChI=1S/C15H21N5O3S/c1-2-17-9-12-4-3-5-13(8-12)19-15(21)6-7-20-11-14(10-18-20)24(16,22)23/h3-5,8,10-11,17H,2,6-7,9H2,1H3,(H,19,21)(H2,16,22,23)
InChIKeyBKBNMXINRBDTAF-UHFFFAOYSA-N
XLogP0.67
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119438590
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
N-[3-(ethylaminomethyl)phenyl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 119438077
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 52525075
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 119438203) is N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is CCNCc1cccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is BKBNMXINRBDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-2-17-9-12-4-3-5-13(8-12)19-15(21)6-7-20-11-14(10-18-20)24(16,22)23/h3-5,8,10-11,17H,2,6-7,9H2,1H3,(H,19,21)(H2,16,22,23).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 351.43 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 119438203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).