(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide

C19H27N3O3S — CID 52524902

IUPAC(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide
SMILESCc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C19H27N3O3S/c1-13(2)22(14(3)4)18(23)16(6)26(24,25)19-20-10-11-21(19)17-9-7-8-15(5)12-17/h7-14,16H,1-6H3/t16-/m1/s1
InChIKeyAPKCVUXXTAEXBO-MRXNPFEDSA-N
MW377.51 g/mol
LogP2.99
Rot. Bonds6

About (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide

(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide (PubChem CID 52524902) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide
PubChem CID52524902
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide
SMILESCc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C19H27N3O3S/c1-13(2)22(14(3)4)18(23)16(6)26(24,25)19-20-10-11-21(19)17-9-7-8-15(5)12-17/h7-14,16H,1-6H3/t16-/m1/s1
InChIKeyAPKCVUXXTAEXBO-MRXNPFEDSA-N
XLogP2.99
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonyl-2-phenylacetamide
CID 86889869
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
CID 145032499
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
2-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylethyl]pyrazine
CID 99784743
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
CID 95527922
2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide (CID 52524902) is (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide is Cc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)C(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is APKCVUXXTAEXBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(2)22(14(3)4)18(23)16(6)26(24,25)19-20-10-11-21(19)17-9-7-8-15(5)12-17/h7-14,16H,1-6H3/t16-/m1/s1.
What are the key properties of (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide?
(2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfonyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 52524902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).