2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide

C19H21N5O4S — CID 143330913

IUPAC2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCNS(=O)(=O)c1ccc2ccccc2c1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C19H21N5O4S/c1-2-24(19-20-12-16(13-21-19)18(25)23-26)10-9-22-29(27,28)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11-13,22,26H,2,9-10H2,1H3,(H,23,25)
InChIKeyWFBWBZAAHFZNQZ-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.55
Rot. Bonds8

About 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 143330913) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID143330913
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCNS(=O)(=O)c1ccc2ccccc2c1)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C19H21N5O4S/c1-2-24(19-20-12-16(13-21-19)18(25)23-26)10-9-22-29(27,28)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11-13,22,26H,2,9-10H2,1H3,(H,23,25)
InChIKeyWFBWBZAAHFZNQZ-UHFFFAOYSA-N
XLogP1.55
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 55729077
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-nonylnaphthalene-2-sulfonamide
CID 19681387
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide
CID 3923334
2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
CID 19970593

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 143330913) is 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide is CCN(CCNS(=O)(=O)c1ccc2ccccc2c1)c1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is WFBWBZAAHFZNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-2-24(19-20-12-16(13-21-19)18(25)23-26)10-9-22-29(27,28)17-8-7-14-5-3-4-6-15(14)11-17/h3-8,11-13,22,26H,2,9-10H2,1H3,(H,23,25).
What are the key properties of 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 143330913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).