(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide

C21H28N2O2S — CID 139363022

IUPAC(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide
SMILESCc1csc2c1CCC2NC(=O)CC[C@H](Cc1ccc(O)cc1)N(C)C
InChIInChI=1S/C21H28N2O2S/c1-14-13-26-21-18(14)9-10-19(21)22-20(25)11-6-16(23(2)3)12-15-4-7-17(24)8-5-15/h4-5,7-8,13,16,19,24H,6,9-12H2,1-3H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyLDMMTGYSEJIWCB-VTBWFHPJSA-N
MW372.53 g/mol
LogP3.82
Rot. Bonds7

About (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide

(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide (PubChem CID 139363022) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide
PubChem CID139363022
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide
SMILESCc1csc2c1CCC2NC(=O)CC[C@H](Cc1ccc(O)cc1)N(C)C
InChIInChI=1S/C21H28N2O2S/c1-14-13-26-21-18(14)9-10-19(21)22-20(25)11-6-16(23(2)3)12-15-4-7-17(24)8-5-15/h4-5,7-8,13,16,19,24H,6,9-12H2,1-3H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyLDMMTGYSEJIWCB-VTBWFHPJSA-N
XLogP3.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-(5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 139362877
(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 153328550
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 139362916
(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 139362872
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide
CID 139362871
(4R)-N-(6-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 139362973
3-(5-hydroxypentan-2-yl)-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 109390126
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
N-(2,6-dioxopiperidin-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 110483854
1-(1-cyclohexa-1,5-dien-1-ylpropan-2-yl)-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 145230144
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
3-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 97020320

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide?
The IUPAC name of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide (CID 139363022) is (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide.
What is the SMILES notation for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide?
The canonical SMILES for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide is Cc1csc2c1CCC2NC(=O)CC[C@H](Cc1ccc(O)cc1)N(C)C.
What is the InChIKey of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide?
The InChIKey is LDMMTGYSEJIWCB-VTBWFHPJSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-14-13-26-21-18(14)9-10-19(21)22-20(25)11-6-16(23(2)3)12-15-4-7-17(24)8-5-15/h4-5,7-8,13,16,19,24H,6,9-12H2,1-3H3,(H,22,25)/t16-,19?/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide?
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide has a molecular weight of 372.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide is sourced from PubChem (CID 139363022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).