N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide

C21H32N4O5S — CID 23821148

IUPACN-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C21H32N4O5S/c1-3-13-31(28,29)25-12-11-24(21(27)15-5-4-6-18(14-15)30-2)20(25)19(26)23-17-9-7-16(22)8-10-17/h4-6,14,16-17,20H,3,7-13,22H2,1-2H3,(H,23,26)
InChIKeyAAFHXLCJWJKOHO-UHFFFAOYSA-N
MW452.58 g/mol
LogP0.90
Rot. Bonds7

About N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide (PubChem CID 23821148) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
PubChem CID23821148
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC NameN-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C21H32N4O5S/c1-3-13-31(28,29)25-12-11-24(21(27)15-5-4-6-18(14-15)30-2)20(25)19(26)23-17-9-7-16(22)8-10-17/h4-6,14,16-17,20H,3,7-13,22H2,1-2H3,(H,23,26)
InChIKeyAAFHXLCJWJKOHO-UHFFFAOYSA-N
XLogP0.90
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide
CID 23879217
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23903155
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23935371
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23761700
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide (CID 23821148) is N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide is CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)C1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide?
The InChIKey is AAFHXLCJWJKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-3-13-31(28,29)25-12-11-24(21(27)15-5-4-6-18(14-15)30-2)20(25)19(26)23-17-9-7-16(22)8-10-17/h4-6,14,16-17,20H,3,7-13,22H2,1-2H3,(H,23,26).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide is sourced from PubChem (CID 23821148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).