ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate

C21H29N3O5S — CID 55654844

IUPACethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)CC(C)C
InChIInChI=1S/C21H29N3O5S/c1-5-28-21(26)24-16(8-14(2)3)10-22-20(25)15-6-7-18(19(9-15)27-4)29-11-17-12-30-13-23-17/h6-7,9,12-14,16H,5,8,10-11H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyCIMACKXAYSSXPO-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.62
Rot. Bonds11

About ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 55654844) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID55654844
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Nameethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)CC(C)C
InChIInChI=1S/C21H29N3O5S/c1-5-28-21(26)24-16(8-14(2)3)10-22-20(25)15-6-7-18(19(9-15)27-4)29-11-17-12-30-13-23-17/h6-7,9,12-14,16H,5,8,10-11H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyCIMACKXAYSSXPO-UHFFFAOYSA-N
XLogP3.62
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate with MolForge

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Related Compounds

N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46480603
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500354
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55570650
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate (CID 55654844) is ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)CC(C)C.
What is the InChIKey of ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is CIMACKXAYSSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-5-28-21(26)24-16(8-14(2)3)10-22-20(25)15-6-7-18(19(9-15)27-4)29-11-17-12-30-13-23-17/h6-7,9,12-14,16H,5,8,10-11H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 435.55 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 55654844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).