3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide

C17H22N2OS — CID 119273511

IUPAC3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
SMILESCC(C)c1ccc(C(NC(=O)CCN)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)13-5-7-14(8-6-13)17(15-4-3-11-21-15)19-16(20)9-10-18/h3-8,11-12,17H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyBUQAPTJLQQKDKR-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide

3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide (PubChem CID 119273511) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
PubChem CID119273511
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
SMILESCC(C)c1ccc(C(NC(=O)CCN)c2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)13-5-7-14(8-6-13)17(15-4-3-11-21-15)19-16(20)9-10-18/h3-8,11-12,17H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyBUQAPTJLQQKDKR-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-2-propylsulfonylacetamide
CID 60572383
2-(3,4-difluorophenyl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18276695
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide;hydrochloride
CID 120784713
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 42925044
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide?
The IUPAC name of 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide (CID 119273511) is 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide.
What is the SMILES notation for 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide?
The canonical SMILES for 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide is CC(C)c1ccc(C(NC(=O)CCN)c2cccs2)cc1.
What is the InChIKey of 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide?
The InChIKey is BUQAPTJLQQKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)13-5-7-14(8-6-13)17(15-4-3-11-21-15)19-16(20)9-10-18/h3-8,11-12,17H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide?
3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide is sourced from PubChem (CID 119273511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).