N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide

C18H24N4O3S2 — CID 143823201

IUPACN-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide
SMILESCC(=O)NC1CCC[C@H]1c1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-11(2)17-20-21-18(26-17)22-27(24,25)14-9-7-13(8-10-14)15-5-4-6-16(15)19-12(3)23/h7-11,15-16H,4-6H2,1-3H3,(H,19,23)(H,21,22)/t15-,16?/m0/s1
InChIKeyVXWAJFOLCHTJAM-VYRBHSGPSA-N
MW408.55 g/mol
LogP3.23
Rot. Bonds6

About N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide

N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide (PubChem CID 143823201) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide
PubChem CID143823201
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide
SMILESCC(=O)NC1CCC[C@H]1c1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-11(2)17-20-21-18(26-17)22-27(24,25)14-9-7-13(8-10-14)15-5-4-6-16(15)19-12(3)23/h7-11,15-16H,4-6H2,1-3H3,(H,19,23)(H,21,22)/t15-,16?/m0/s1
InChIKeyVXWAJFOLCHTJAM-VYRBHSGPSA-N
XLogP3.23
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-acetamidocyclopentyl]benzenesulfonyl chloride
CID 154500938
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
2-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide;ethane
CID 143433766
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539040
N-[4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 100756184
2-ethoxy-N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopropylidene]-4-(trifluoromethyl)benzamide
CID 162583005
N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 135391827
4-[3-methyl-2-[1-(4-methylphenyl)ethylideneamino]but-2-enoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 143433630
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3590275
(2S)-1-(4-chlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 1468453
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261423

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide?
The IUPAC name of N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide (CID 143823201) is N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide is CC(=O)NC1CCC[C@H]1c1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1.
What is the InChIKey of N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide?
The InChIKey is VXWAJFOLCHTJAM-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-11(2)17-20-21-18(26-17)22-27(24,25)14-9-7-13(8-10-14)15-5-4-6-16(15)19-12(3)23/h7-11,15-16H,4-6H2,1-3H3,(H,19,23)(H,21,22)/t15-,16?/m0/s1.
What are the key properties of N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide?
N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide is sourced from PubChem (CID 143823201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).