2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide

C18H26N4O5S — CID 30149467

IUPAC2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NCCCn1ccnc1)S(C)(=O)=O
InChIInChI=1S/C18H26N4O5S/c1-5-22(28(4,24)25)15-12-17(27-3)16(26-2)11-14(15)18(23)20-7-6-9-21-10-8-19-13-21/h8,10-13H,5-7,9H2,1-4H3,(H,20,23)
InChIKeyBCBXBAJCQSOONH-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.51
Rot. Bonds10

About 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide

2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide (PubChem CID 30149467) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
PubChem CID30149467
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NCCCn1ccnc1)S(C)(=O)=O
InChIInChI=1S/C18H26N4O5S/c1-5-22(28(4,24)25)15-12-17(27-3)16(26-2)11-14(15)18(23)20-7-6-9-21-10-8-19-13-21/h8,10-13H,5-7,9H2,1-4H3,(H,20,23)
InChIKeyBCBXBAJCQSOONH-UHFFFAOYSA-N
XLogP1.51
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 30148750
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide (CID 30149467) is 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide is CCN(c1cc(OC)c(OC)cc1C(=O)NCCCn1ccnc1)S(C)(=O)=O.
What is the InChIKey of 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide?
The InChIKey is BCBXBAJCQSOONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-5-22(28(4,24)25)15-12-17(27-3)16(26-2)11-14(15)18(23)20-7-6-9-21-10-8-19-13-21/h8,10-13H,5-7,9H2,1-4H3,(H,20,23).
What are the key properties of 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide?
2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide has a molecular weight of 410.50 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 30149467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).