2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide

C19H26N4O2S — CID 10270779

IUPAC2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2CNC(=O)CN)cc1
InChIInChI=1S/C19H26N4O2S/c1-12-5-7-13(8-6-12)22-18(25)23-14-9-16(19(2,3)4)26-15(14)11-21-17(24)10-20/h5-9H,10-11,20H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyAWIXVGUWZLQQBD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.57
Rot. Bonds5

About 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide

2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide (PubChem CID 10270779) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
PubChem CID10270779
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2CNC(=O)CN)cc1
InChIInChI=1S/C19H26N4O2S/c1-12-5-7-13(8-6-12)22-18(25)23-14-9-16(19(2,3)4)26-15(14)11-21-17(24)10-20/h5-9H,10-11,20H2,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyAWIXVGUWZLQQBD-UHFFFAOYSA-N
XLogP3.57
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide (CID 10270779) is 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide is Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
The InChIKey is AWIXVGUWZLQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-5-7-13(8-6-12)22-18(25)23-14-9-16(19(2,3)4)26-15(14)11-21-17(24)10-20/h5-9H,10-11,20H2,1-4H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide?
2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 10270779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).