N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide

C17H26N4O3S — CID 154085320

IUPACN-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
SMILES[H]/N=C1\N(CCCC)CCN1S(=O)(=O)c1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C17H26N4O3S/c1-3-4-11-20-12-13-21(17(20)18)25(23,24)16-7-5-15(6-8-16)9-10-19-14(2)22/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)/b18-17+
InChIKeyDEWFPFYAXBRYJB-ISLYRVAYSA-N
MW366.49 g/mol
LogP1.41
Rot. Bonds8

About N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide

N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide (PubChem CID 154085320) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
PubChem CID154085320
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
SMILES[H]/N=C1\N(CCCC)CCN1S(=O)(=O)c1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C17H26N4O3S/c1-3-4-11-20-12-13-21(17(20)18)25(23,24)16-7-5-15(6-8-16)9-10-19-14(2)22/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)/b18-17+
InChIKeyDEWFPFYAXBRYJB-ISLYRVAYSA-N
XLogP1.41
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]propyl]acetamide
CID 154112809
N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]pentanamide
CID 154093984
N-[2-[4-(3-tert-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide
CID 163606352
1-butyl-3-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiourea
CID 13147604
N-[2-[4-(3-cyclopentyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 159621088
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-2-methylbenzamide
CID 13155035
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]-4-methoxybenzamide
CID 13155039
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]thiophene-2-carboxamide
CID 13155046
3-[4-(3-tert-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]propan-1-amine;dihydrochloride
CID 161393861
N-[2-[4-[2-imino-3-(2-methylcyclohexyl)imidazolidin-1-yl]sulfonylphenyl]ethyl]-3,4-dimethoxybenzamide
CID 163919906
2-[4-[2-imino-3-(3-methylpentan-2-yl)imidazolidin-1-yl]sulfonylphenyl]ethanamine
CID 159747718

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide (CID 154085320) is N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide is [H]/N=C1\N(CCCC)CCN1S(=O)(=O)c1ccc(CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide?
The InChIKey is DEWFPFYAXBRYJB-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-3-4-11-20-12-13-21(17(20)18)25(23,24)16-7-5-15(6-8-16)9-10-19-14(2)22/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,22)/b18-17+.
What are the key properties of N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide?
N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]acetamide is sourced from PubChem (CID 154085320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).