2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide

C19H29N3O3S — CID 3888016

IUPAC2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(C)=O
InChIInChI=1S/C19H29N3O3S/c1-4-19(3,18(25)21-15-8-5-6-9-15)22(13-16-10-7-11-26-16)17(24)12-20-14(2)23/h7,10-11,15H,4-6,8-9,12-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyNWOBZNQPEGYNGS-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.44
Rot. Bonds8

About 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide

2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide (PubChem CID 3888016) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
PubChem CID3888016
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(C)=O
InChIInChI=1S/C19H29N3O3S/c1-4-19(3,18(25)21-15-8-5-6-9-15)22(13-16-10-7-11-26-16)17(24)12-20-14(2)23/h7,10-11,15H,4-6,8-9,12-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyNWOBZNQPEGYNGS-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The IUPAC name of 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide (CID 3888016) is 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(C)=O.
What is the InChIKey of 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
The InChIKey is NWOBZNQPEGYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-4-19(3,18(25)21-15-8-5-6-9-15)22(13-16-10-7-11-26-16)17(24)12-20-14(2)23/h7,10-11,15H,4-6,8-9,12-13H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide?
2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide has a molecular weight of 379.53 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-methylbutanamide is sourced from PubChem (CID 3888016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).