cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate

C26H33ClN4O4S — CID 67372360

IUPACcyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCC=Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1Cl)C(=O)OC1CCCC1
InChIInChI=1S/C26H33ClN4O4S/c1-15(2)12-21(25(33)35-18-7-3-4-8-18)30-11-5-6-16-9-10-17(13-20(16)27)22-14-19(23(28)32)24(36-22)31-26(29)34/h5-6,9-10,13-15,18,21,30H,3-4,7-8,11-12H2,1-2H3,(H2,28,32)(H3,29,31,34)/t21-/m0/s1
InChIKeyJYHPOVFZIDCVPH-NRFANRHFSA-N
MW533.09 g/mol
LogP5.16
Rot. Bonds11

About cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate

cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate (PubChem CID 67372360) has the molecular formula C26H33ClN4O4S and a molecular weight of 533.09 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate
PubChem CID67372360
Molecular FormulaC26H33ClN4O4S
Molecular Weight533.09 g/mol
Exact Mass532.19
IUPAC Namecyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCC=Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1Cl)C(=O)OC1CCCC1
InChIInChI=1S/C26H33ClN4O4S/c1-15(2)12-21(25(33)35-18-7-3-4-8-18)30-11-5-6-16-9-10-17(13-20(16)27)22-14-19(23(28)32)24(36-22)31-26(29)34/h5-6,9-10,13-15,18,21,30H,3-4,7-8,11-12H2,1-2H3,(H2,28,32)(H3,29,31,34)/t21-/m0/s1
InChIKeyJYHPOVFZIDCVPH-NRFANRHFSA-N
XLogP5.16
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.09
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate (CID 67372360) is cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate is CC(C)C[C@H](NCC=Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1Cl)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate?
The InChIKey is JYHPOVFZIDCVPH-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33ClN4O4S/c1-15(2)12-21(25(33)35-18-7-3-4-8-18)30-11-5-6-16-9-10-17(13-20(16)27)22-14-19(23(28)32)24(36-22)31-26(29)34/h5-6,9-10,13-15,18,21,30H,3-4,7-8,11-12H2,1-2H3,(H2,28,32)(H3,29,31,34)/t21-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate?
cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate has a molecular weight of 533.09 g/mol, XLogP of 5.16, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-[3-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-chlorophenyl]prop-2-enylamino]-4-methylpentanoate is sourced from PubChem (CID 67372360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).