1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

C12H23N5O3S — CID 122565254

IUPAC1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)C(NC(=O)NCCNS(C)(=O)=O)c1nccn1C
InChIInChI=1S/C12H23N5O3S/c1-9(2)10(11-13-7-8-17(11)3)16-12(18)14-5-6-15-21(4,19)20/h7-10,15H,5-6H2,1-4H3,(H2,14,16,18)
InChIKeyHERCYWFHRLFJBM-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.03
Rot. Bonds7

About 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 122565254) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
PubChem CID122565254
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)C(NC(=O)NCCNS(C)(=O)=O)c1nccn1C
InChIInChI=1S/C12H23N5O3S/c1-9(2)10(11-13-7-8-17(11)3)16-12(18)14-5-6-15-21(4,19)20/h7-10,15H,5-6H2,1-4H3,(H2,14,16,18)
InChIKeyHERCYWFHRLFJBM-UHFFFAOYSA-N
XLogP-0.03
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 125448282
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2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
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3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 97320279
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
1-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 55597814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 122565254) is 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is CC(C)C(NC(=O)NCCNS(C)(=O)=O)c1nccn1C.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The InChIKey is HERCYWFHRLFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-9(2)10(11-13-7-8-17(11)3)16-12(18)14-5-6-15-21(4,19)20/h7-10,15H,5-6H2,1-4H3,(H2,14,16,18).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 317.42 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 122565254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).