4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide

C20H29N3O5S — CID 2999228

IUPAC4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCCCCn1ccnc1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1
InChIInChI=1S/C20H29N3O5S/c1-4-5-11-22-12-10-21-20(22)19(24)17-6-8-18(9-7-17)29(25,26)23(13-15-27-2)14-16-28-3/h6-10,12H,4-5,11,13-16H2,1-3H3
InChIKeyFQXWDHPGHKRHMM-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.20
Rot. Bonds13

About 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide

4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide (PubChem CID 2999228) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide
PubChem CID2999228
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCCCCn1ccnc1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1
InChIInChI=1S/C20H29N3O5S/c1-4-5-11-22-12-10-21-20(22)19(24)17-6-8-18(9-7-17)29(25,26)23(13-15-27-2)14-16-28-3/h6-10,12H,4-5,11,13-16H2,1-3H3
InChIKeyFQXWDHPGHKRHMM-UHFFFAOYSA-N
XLogP2.20
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide (CID 2999228) is 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide is CCCCn1ccnc1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1.
What is the InChIKey of 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The InChIKey is FQXWDHPGHKRHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-4-5-11-22-12-10-21-20(22)19(24)17-6-8-18(9-7-17)29(25,26)23(13-15-27-2)14-16-28-3/h6-10,12H,4-5,11,13-16H2,1-3H3.
What are the key properties of 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide?
4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.20, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylimidazole-2-carbonyl)-N,N-bis(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2999228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).