tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate

C19H26N2O3S — CID 113354897

IUPACtert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
SMILESCOc1cc(NC(C)c2sccc2C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3S/c1-12-9-10-25-17(12)13(2)20-14-7-8-15(16(11-14)23-6)21-18(22)24-19(3,4)5/h7-11,13,20H,1-6H3,(H,21,22)
InChIKeyQAVGMBXDJCVXBR-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.59
Rot. Bonds5

About tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate

tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate (PubChem CID 113354897) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
PubChem CID113354897
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nametert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
SMILESCOc1cc(NC(C)c2sccc2C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3S/c1-12-9-10-25-17(12)13(2)20-14-7-8-15(16(11-14)23-6)21-18(22)24-19(3,4)5/h7-11,13,20H,1-6H3,(H,21,22)
InChIKeyQAVGMBXDJCVXBR-UHFFFAOYSA-N
XLogP5.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
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CID 103776035
N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
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tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
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methyl 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoate
CID 103711004
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
CID 107239656
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
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tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate (CID 113354897) is tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate is COc1cc(NC(C)c2sccc2C)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate?
The InChIKey is QAVGMBXDJCVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-12-9-10-25-17(12)13(2)20-14-7-8-15(16(11-14)23-6)21-18(22)24-19(3,4)5/h7-11,13,20H,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate has a molecular weight of 362.50 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 113354897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).