5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid

C17H17N3O4S — CID 142786091

IUPAC5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid
SMILESNC(=O)Nc1sc(-c2cccc(C=CCCC(=O)O)c2)cc1C(N)=O
InChIInChI=1S/C17H17N3O4S/c18-15(23)12-9-13(25-16(12)20-17(19)24)11-6-3-5-10(8-11)4-1-2-7-14(21)22/h1,3-6,8-9H,2,7H2,(H2,18,23)(H,21,22)(H3,19,20,24)
InChIKeyZWNKVEIPVLHBET-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.88
Rot. Bonds7

About 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid

5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid (PubChem CID 142786091) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid
PubChem CID142786091
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid
SMILESNC(=O)Nc1sc(-c2cccc(C=CCCC(=O)O)c2)cc1C(N)=O
InChIInChI=1S/C17H17N3O4S/c18-15(23)12-9-13(25-16(12)20-17(19)24)11-6-3-5-10(8-11)4-1-2-7-14(21)22/h1,3-6,8-9H,2,7H2,(H2,18,23)(H,21,22)(H3,19,20,24)
InChIKeyZWNKVEIPVLHBET-UHFFFAOYSA-N
XLogP2.88
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid with MolForge

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Related Compounds

cyclopentyl (2S)-2-amino-5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoate
CID 90953386
cyclopentyl (E,2S)-5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 58150167
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-amino-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-methylphenyl]pent-4-enoic acid
CID 68707360
(2S)-2-[2-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]ethylamino]-2-phenylacetic acid
CID 67372536
(2S)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-3-phenylpropanoic acid
CID 59273159
cyclopentyl (E)-2-amino-5-[3-[4-carbamoyl-5-(methylamino)thiophen-2-yl]phenyl]pent-4-enoate
CID 143881387
2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
CID 67119830
(E)-5-phenylpent-4-enoic acid
CID 5370650
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 70158303
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid?
The IUPAC name of 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid (CID 142786091) is 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid.
What is the SMILES notation for 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid?
The canonical SMILES for 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid is NC(=O)Nc1sc(-c2cccc(C=CCCC(=O)O)c2)cc1C(N)=O.
What is the InChIKey of 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid?
The InChIKey is ZWNKVEIPVLHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c18-15(23)12-9-13(25-16(12)20-17(19)24)11-6-3-5-10(8-11)4-1-2-7-14(21)22/h1,3-6,8-9H,2,7H2,(H2,18,23)(H,21,22)(H3,19,20,24).
What are the key properties of 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid?
5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid has a molecular weight of 359.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pent-4-enoic acid is sourced from PubChem (CID 142786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).