(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide

C14H21N3O4S — CID 7450033

IUPAC(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyJTHPHXAFQICALI-LLVKDONJSA-N
MW327.41 g/mol
LogP1.03
Rot. Bonds3

About (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide

(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide (PubChem CID 7450033) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
PubChem CID7450033
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyJTHPHXAFQICALI-LLVKDONJSA-N
XLogP1.03
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7443073
(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
CID 7450039
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
CID 18411977
1-(4-methoxyphenyl)sulfonyl-3-oxoazepane-2-carboxamide
CID 173158629
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The IUPAC name of (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide (CID 7450033) is (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide.
What is the SMILES notation for (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The canonical SMILES for (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)[C@H]2C)cc1.
What is the InChIKey of (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
The InChIKey is JTHPHXAFQICALI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-16(14(18)15(2)3)9-10-17(11)22(19,20)13-7-5-12(21-4)6-8-13/h5-8,11H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide?
(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide is sourced from PubChem (CID 7450033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).