3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide

C14H19BrN2OS — CID 82690361

IUPAC3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide
SMILESO=C(CCNC1CCCc2sc(Br)cc21)NC1CC1
InChIInChI=1S/C14H19BrN2OS/c15-13-8-10-11(2-1-3-12(10)19-13)16-7-6-14(18)17-9-4-5-9/h8-9,11,16H,1-7H2,(H,17,18)
InChIKeyFYUHSJVSIVIZLC-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.15
Rot. Bonds5

About 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide

3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 82690361) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID82690361
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide
SMILESO=C(CCNC1CCCc2sc(Br)cc21)NC1CC1
InChIInChI=1S/C14H19BrN2OS/c15-13-8-10-11(2-1-3-12(10)19-13)16-7-6-14(18)17-9-4-5-9/h8-9,11,16H,1-7H2,(H,17,18)
InChIKeyFYUHSJVSIVIZLC-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686194
4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butanoic acid
CID 82690234
N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
CID 82686761
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686064
2-bromo-N-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690126
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2,2-difluoropropan-1-ol
CID 114153790
2-bromo-N-(4-methylpentyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689816
ethyl 2-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetate
CID 82690453
2-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114187463
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N-[3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 82012032
2-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690466

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide (CID 82690361) is 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide is O=C(CCNC1CCCc2sc(Br)cc21)NC1CC1.
What is the InChIKey of 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is FYUHSJVSIVIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-13-8-10-11(2-1-3-12(10)19-13)16-7-6-14(18)17-9-4-5-9/h8-9,11,16H,1-7H2,(H,17,18).
What are the key properties of 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide?
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 343.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 82690361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).