1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

C18H24N4O5S2 — CID 108802688

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C18H24N4O5S2/c1-4-6-16-20-21-18(28-16)19-17(23)13-7-5-10-22(13)29(24,25)12-8-9-14(26-2)15(11-12)27-3/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,21,23)
InChIKeyKXECPWAMAWYIKX-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.30
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 108802688) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID108802688
Molecular FormulaC18H24N4O5S2
Molecular Weight440.55 g/mol
Exact Mass440.12
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C18H24N4O5S2/c1-4-6-16-20-21-18(28-16)19-17(23)13-7-5-10-22(13)29(24,25)12-8-9-14(26-2)15(11-12)27-3/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,21,23)
InChIKeyKXECPWAMAWYIKX-UHFFFAOYSA-N
XLogP2.30
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 108802686
(2S)-1-(4-fluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 41130374
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 18846703
(2R)-1-(4-ethoxyphenyl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 7263572
N-[2-(diethylamino)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789794
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 108802609
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 108789725
methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 108802679
1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 108789817
N-(4-anilinophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108789803

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (CID 108802688) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is CCCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is KXECPWAMAWYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c1-4-6-16-20-21-18(28-16)19-17(23)13-7-5-10-22(13)29(24,25)12-8-9-14(26-2)15(11-12)27-3/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,21,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 108802688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).