1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea

C16H20N4O3S — CID 51084190

IUPAC1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)Nc2ccccn2)c1
InChIInChI=1S/C16H20N4O3S/c1-12-6-7-13(2)14(11-12)24(22,23)19-10-9-18-16(21)20-15-5-3-4-8-17-15/h3-8,11,19H,9-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyPCRSCRNICFGVMT-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.80
Rot. Bonds6

About 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea

1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea (PubChem CID 51084190) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
PubChem CID51084190
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)Nc2ccccn2)c1
InChIInChI=1S/C16H20N4O3S/c1-12-6-7-13(2)14(11-12)24(22,23)19-10-9-18-16(21)20-15-5-3-4-8-17-15/h3-8,11,19H,9-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyPCRSCRNICFGVMT-UHFFFAOYSA-N
XLogP1.80
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111043857
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 32996503
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea (CID 51084190) is 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea?
The InChIKey is PCRSCRNICFGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-6-7-13(2)14(11-12)24(22,23)19-10-9-18-16(21)20-15-5-3-4-8-17-15/h3-8,11,19H,9-10H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea?
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea has a molecular weight of 348.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 51084190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).