N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide

C14H23BrN2OS — CID 54869367

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C14H23BrN2OS/c1-5-17(10-11-6-7-12(15)19-11)13(18)8-9-16-14(2,3)4/h6-7,16H,5,8-10H2,1-4H3
InChIKeyZVQUDDZZWHXLEE-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.64
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide

N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide (PubChem CID 54869367) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
PubChem CID54869367
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CCNC(C)(C)C
InChIInChI=1S/C14H23BrN2OS/c1-5-17(10-11-6-7-12(15)19-11)13(18)8-9-16-14(2,3)4/h6-7,16H,5,8-10H2,1-4H3
InChIKeyZVQUDDZZWHXLEE-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
2-(2-amino-2-methylpropyl)sulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66222934
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,2-diethyl-4-oxobutanoic acid
CID 60952941
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
N-[(5-bromothiophen-2-yl)methyl]-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 54869357
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 60937469
N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 60689169
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-3-(carbamoylamino)-N-ethyl-3-phenylpropanamide
CID 42938478
2-(1-aminocyclopentyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 64685075
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114964
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide (CID 54869367) is N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide is CCN(Cc1ccc(Br)s1)C(=O)CCNC(C)(C)C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide?
The InChIKey is ZVQUDDZZWHXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-5-17(10-11-6-7-12(15)19-11)13(18)8-9-16-14(2,3)4/h6-7,16H,5,8-10H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide has a molecular weight of 347.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide is sourced from PubChem (CID 54869367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).