N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H16Cl2N4O3S3 — CID 27897743

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C17H16Cl2N4O3S3/c1-22-8-10(29(25,26)23-4-2-3-5-23)6-13(22)16(24)21-17-20-12(9-27-17)11-7-14(18)28-15(11)19/h6-9H,2-5H2,1H3,(H,20,21,24)
InChIKeyAKSDXODCZGZQPO-UHFFFAOYSA-N
MW491.45 g/mol
LogP4.55
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 27897743) has the molecular formula C17H16Cl2N4O3S3 and a molecular weight of 491.45 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID27897743
Molecular FormulaC17H16Cl2N4O3S3
Molecular Weight491.45 g/mol
Exact Mass489.98
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C17H16Cl2N4O3S3/c1-22-8-10(29(25,26)23-4-2-3-5-23)6-13(22)16(24)21-17-20-12(9-27-17)11-7-14(18)28-15(11)19/h6-9H,2-5H2,1H3,(H,20,21,24)
InChIKeyAKSDXODCZGZQPO-UHFFFAOYSA-N
XLogP4.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 31847845
1-methyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24657670
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55722629
1-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55469802
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828927
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4186489
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827505

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 27897743) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is AKSDXODCZGZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S3/c1-22-8-10(29(25,26)23-4-2-3-5-23)6-13(22)16(24)21-17-20-12(9-27-17)11-7-14(18)28-15(11)19/h6-9H,2-5H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 491.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 27897743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).