N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C27H29N3O3S — CID 118913651

IUPACN-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(COc3ccc(OC4CCC(N)CC4)cc3)c2)cc2sccc21
InChIInChI=1S/C27H29N3O3S/c1-30-24-13-14-34-26(24)16-25(30)27(31)29-20-4-2-3-18(15-20)17-32-21-9-11-23(12-10-21)33-22-7-5-19(28)6-8-22/h2-4,9-16,19,22H,5-8,17,28H2,1H3,(H,29,31)
InChIKeyFZFVEKBVAUSPGD-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.72
Rot. Bonds7

About N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 118913651) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID118913651
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2cccc(COc3ccc(OC4CCC(N)CC4)cc3)c2)cc2sccc21
InChIInChI=1S/C27H29N3O3S/c1-30-24-13-14-34-26(24)16-25(30)27(31)29-20-4-2-3-18(15-20)17-32-21-9-11-23(12-10-21)33-22-7-5-19(28)6-8-22/h2-4,9-16,19,22H,5-8,17,28H2,1H3,(H,29,31)
InChIKeyFZFVEKBVAUSPGD-UHFFFAOYSA-N
XLogP5.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[4-[[3-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 118913681
tert-butyl 4-[4-[2-[3-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]ethyl]phenoxy]piperidine-1-carboxylate
CID 118931247
4-methyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide;4-(1-methylpiperidin-4-yl)oxyphenol
CID 145027446
tert-butyl (3S)-3-[[4-[[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 118931276
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 145027417
tert-butyl 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]phenyl]methoxy]anilino]piperidine-1-carboxylate
CID 118913694
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-[3,4-diethyl-2-(4-hydroxyphenoxy)-5-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 118918377
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55804996

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 118913651) is N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2cccc(COc3ccc(OC4CCC(N)CC4)cc3)c2)cc2sccc21.
What is the InChIKey of N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FZFVEKBVAUSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-30-24-13-14-34-26(24)16-25(30)27(31)29-20-4-2-3-18(15-20)17-32-21-9-11-23(12-10-21)33-22-7-5-19(28)6-8-22/h2-4,9-16,19,22H,5-8,17,28H2,1H3,(H,29,31).
What are the key properties of N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 118913651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).