N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

C18H24N4O3S — CID 70755633

IUPACN-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)cn1
InChIInChI=1S/C18H24N4O3S/c1-4-21-10-16(9-19-21)26(24,25)22-11-17(18(12-22)20-14(3)23)15-7-5-13(2)6-8-15/h5-10,17-18H,4,11-12H2,1-3H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyQOIZRMOXFMTXER-ZWKOTPCHSA-N
MW376.48 g/mol
LogP1.50
Rot. Bonds5

About N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 70755633) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID70755633
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)cn1
InChIInChI=1S/C18H24N4O3S/c1-4-21-10-16(9-19-21)26(24,25)22-11-17(18(12-22)20-14(3)23)15-7-5-13(2)6-8-15/h5-10,17-18H,4,11-12H2,1-3H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyQOIZRMOXFMTXER-ZWKOTPCHSA-N
XLogP1.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197
N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide
CID 70730888
[(3R,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766131
(3R,4S)-4-[4-(acetamidomethyl)phenyl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 92620230
(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
CID 91911174
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
2-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]-N-ethylethanamine
CID 79186912
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 79188745
N-[(3S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70735467
N-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 166421509
(3aR,5S,6S,7aS)-2-(1-propylpyrazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56899644

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide (CID 70755633) is N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is CCn1cc(S(=O)(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)cn1.
What is the InChIKey of N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QOIZRMOXFMTXER-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-21-10-16(9-19-21)26(24,25)22-11-17(18(12-22)20-14(3)23)15-7-5-13(2)6-8-15/h5-10,17-18H,4,11-12H2,1-3H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70755633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).