ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate

C10H14N2O4S — CID 14948425

IUPACethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)OCC)s1
InChIInChI=1S/C10H14N2O4S/c1-3-15-9(13)11-7-5-6-8(17-7)12-10(14)16-4-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyYOBMDTJTNSPAGM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds4

About ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate

ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate (PubChem CID 14948425) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
PubChem CID14948425
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)OCC)s1
InChIInChI=1S/C10H14N2O4S/c1-3-15-9(13)11-7-5-6-8(17-7)12-10(14)16-4-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyYOBMDTJTNSPAGM-UHFFFAOYSA-N
XLogP2.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-enyl N-(5-methylthiophen-2-yl)carbamate
CID 21064928
ethyl N-(thiadiazol-5-yl)carbamate
CID 12707508
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
CID 16640233

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate (CID 14948425) is ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate is CCOC(=O)Nc1ccc(NC(=O)OCC)s1.
What is the InChIKey of ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate?
The InChIKey is YOBMDTJTNSPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-15-9(13)11-7-5-6-8(17-7)12-10(14)16-4-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate?
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate has a molecular weight of 258.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate is sourced from PubChem (CID 14948425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).