N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide

C18H23N3O2S — CID 167883956

IUPACN-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3ccsc23)C1
InChIInChI=1S/C18H23N3O2S/c1-21(2)11-16(22)19-13-6-7-14(10-13)20-18(23)15-5-3-4-12-8-9-24-17(12)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t13-,14+/m1/s1
InChIKeyXNXNIGPTQHCAPX-KGLIPLIRSA-N
MW345.47 g/mol
LogP2.23
Rot. Bonds5

About N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide

N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide (PubChem CID 167883956) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide
PubChem CID167883956
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3ccsc23)C1
InChIInChI=1S/C18H23N3O2S/c1-21(2)11-16(22)19-13-6-7-14(10-13)20-18(23)15-5-3-4-12-8-9-24-17(12)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t13-,14+/m1/s1
InChIKeyXNXNIGPTQHCAPX-KGLIPLIRSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-benzothiophene-7-carboxamide
CID 130770736
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
methyl 2-[4-[3-(1-benzothiophene-7-carbonylamino)-2-bicyclo[2.2.1]heptanyl]butylsulfanyl]acetate
CID 20824639
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
N-[[1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-7-carboxamide
CID 139013451
N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
CID 103457692
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
CID 115791036
2-[[3-(1-benzothiophen-7-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122087496

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide (CID 167883956) is N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide is CN(C)CC(=O)N[C@@H]1CC[C@H](NC(=O)c2cccc3ccsc23)C1.
What is the InChIKey of N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide?
The InChIKey is XNXNIGPTQHCAPX-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(2)11-16(22)19-13-6-7-14(10-13)20-18(23)15-5-3-4-12-8-9-24-17(12)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3,(H,19,22)(H,20,23)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide?
N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[2-(dimethylamino)acetyl]amino]cyclopentyl]-1-benzothiophene-7-carboxamide is sourced from PubChem (CID 167883956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).