N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide

C18H19N3O3S3 — CID 92597605

IUPACN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
SMILESCc1nc([C@@H](Cc2ccsc2)NC(=O)c2cccc(S(N)(=O)=O)c2)sc1C
InChIInChI=1S/C18H19N3O3S3/c1-11-12(2)26-18(20-11)16(8-13-6-7-25-10-13)21-17(22)14-4-3-5-15(9-14)27(19,23)24/h3-7,9-10,16H,8H2,1-2H3,(H,21,22)(H2,19,23,24)/t16-/m1/s1
InChIKeyVMMDRMVFYNLQPL-MRXNPFEDSA-N
MW421.57 g/mol
LogP3.18
Rot. Bonds6

About N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide (PubChem CID 92597605) has the molecular formula C18H19N3O3S3 and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
PubChem CID92597605
Molecular FormulaC18H19N3O3S3
Molecular Weight421.57 g/mol
Exact Mass421.06
IUPAC NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
SMILESCc1nc([C@@H](Cc2ccsc2)NC(=O)c2cccc(S(N)(=O)=O)c2)sc1C
InChIInChI=1S/C18H19N3O3S3/c1-11-12(2)26-18(20-11)16(8-13-6-7-25-10-13)21-17(22)14-4-3-5-15(9-14)27(19,23)24/h3-7,9-10,16H,8H2,1-2H3,(H,21,22)(H2,19,23,24)/t16-/m1/s1
InChIKeyVMMDRMVFYNLQPL-MRXNPFEDSA-N
XLogP3.18
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110222012
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide
CID 110221996
3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
CID 92597594
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 110221989
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597640
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 92589855
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
CID 95802527
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
CID 46966617

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide (CID 92597605) is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide is Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2cccc(S(N)(=O)=O)c2)sc1C.
What is the InChIKey of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide?
The InChIKey is VMMDRMVFYNLQPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O3S3/c1-11-12(2)26-18(20-11)16(8-13-6-7-25-10-13)21-17(22)14-4-3-5-15(9-14)27(19,23)24/h3-7,9-10,16H,8H2,1-2H3,(H,21,22)(H2,19,23,24)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide?
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide has a molecular weight of 421.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 92597605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).