3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide

C19H21N5O3S — CID 55647229

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCNc1ncccn1
InChIInChI=1S/C19H21N5O3S/c25-18(20-12-13-23-19-21-9-3-10-22-19)8-11-24-28(26,27)17-7-6-15-4-1-2-5-16(15)14-17/h1-7,9-10,14,24H,8,11-13H2,(H,20,25)(H,21,22,23)
InChIKeyMQWWQVISCWXAHA-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.53
Rot. Bonds9

About 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide

3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide (PubChem CID 55647229) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
PubChem CID55647229
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCNc1ncccn1
InChIInChI=1S/C19H21N5O3S/c25-18(20-12-13-23-19-21-9-3-10-22-19)8-11-24-28(26,27)17-7-6-15-4-1-2-5-16(15)14-17/h1-7,9-10,14,24H,8,11-13H2,(H,20,25)(H,21,22,23)
InChIKeyMQWWQVISCWXAHA-UHFFFAOYSA-N
XLogP1.53
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720222
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26635601
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide (CID 55647229) is 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCNc1ncccn1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide?
The InChIKey is MQWWQVISCWXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-18(20-12-13-23-19-21-9-3-10-22-19)8-11-24-28(26,27)17-7-6-15-4-1-2-5-16(15)14-17/h1-7,9-10,14,24H,8,11-13H2,(H,20,25)(H,21,22,23).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide?
3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide has a molecular weight of 399.48 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 55647229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).