N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide

C23H27N3O4S2 — CID 25382824

IUPACN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H27N3O4S2/c1-15(22-24-18-10-6-7-11-20(18)31-22)26(2)23(27)16-12-13-19(30-3)21(14-16)32(28,29)25-17-8-4-5-9-17/h6-7,10-15,17,25H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyWSYURKFDMHGCRN-OAHLLOKOSA-N
MW473.62 g/mol
LogP4.36
Rot. Bonds7

About N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide (PubChem CID 25382824) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide
PubChem CID25382824
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H27N3O4S2/c1-15(22-24-18-10-6-7-11-20(18)31-22)26(2)23(27)16-12-13-19(30-3)21(14-16)32(28,29)25-17-8-4-5-9-17/h6-7,10-15,17,25H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyWSYURKFDMHGCRN-OAHLLOKOSA-N
XLogP4.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N,4-dimethylbenzamide
CID 25407589
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
3-(cyclopentylsulfamoyl)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 60576610
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 9406136
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55392531
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-N-methyl-3-nitrobenzamide
CID 9469406
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 45354760
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46452295
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,5-dichloro-4-methoxy-N-methylbenzamide
CID 9469563

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide (CID 25382824) is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide?
The InChIKey is WSYURKFDMHGCRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-15(22-24-18-10-6-7-11-20(18)31-22)26(2)23(27)16-12-13-19(30-3)21(14-16)32(28,29)25-17-8-4-5-9-17/h6-7,10-15,17,25H,4-5,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide?
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide has a molecular weight of 473.62 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 25382824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).